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29947-21-5

29947-21-5 | 2-Propenoic acid,2-cyano-3-[4-[(4-oxo-3-phenyl-2-thioxo-5-thiazolidinylidene)methyl]phenyl]-,ethyl ester

CAS No: 29947-21-5 Catalog No: AG007JY0 MDL No:

Product Description

Catalog Number:
AG007JY0
Chemical Name:
2-Propenoic acid,2-cyano-3-[4-[(4-oxo-3-phenyl-2-thioxo-5-thiazolidinylidene)methyl]phenyl]-,ethyl ester
CAS Number:
29947-21-5
Molecular Formula:
C22H16N2O3S2
Molecular Weight:
420.5040
IUPAC Name:
ethyl 2-cyano-3-[4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]prop-2-enoate
InChI:
InChI=1S/C22H16N2O3S2/c1-2-27-21(26)17(14-23)12-15-8-10-16(11-9-15)13-19-20(25)24(22(28)29-19)18-6-4-3-5-7-18/h3-13H,2H2,1H3
InChI Key:
UNAVXDZSTTWMEY-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/c1ccc(cc1)C=C1SC(=S)N(C1=O)c1ccccc1)/C#N

Properties

Complexity:
766  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.06g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.501g/mol
Monoisotopic Mass:
420.06g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  
XLogP3:
5.1  

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