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1103723-24-5 | Benzoic acid, 4-[5-[(E)-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]methyl]-2-furanyl]-, methyl ester
CAS No: 1103723-24-5 Catalog No: AG00JOSR MDL No:
Product Description
Catalog Number:
AG00JOSR
Chemical Name:
Benzoic acid, 4-[5-[(E)-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]methyl]-2-furanyl]-, methyl ester
CAS Number:
1103723-24-5
Molecular Formula:
C19H15NO4S2
Molecular Weight:
385.4567
IUPAC Name:
methyl 4-[5-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate
InChI:
InChI=1S/C19H15NO4S2/c1-3-10-20-17(21)16(26-19(20)25)11-14-8-9-15(24-14)12-4-6-13(7-5-12)18(22)23-2/h3-9,11H,1,10H2,2H3
InChI Key:
MDNOJCKSNFNOAN-UHFFFAOYSA-N
SMILES:
C=CCN1C(=S)S/C(=C/c2ccc(o2)c2ccc(cc2)C(=O)OC)/C1=O
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.044g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.452g/mol
Monoisotopic Mass:
385.044g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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