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Home > Thiazole > 1103723-33-6
1103723-33-6 | Benzoic acid, 4-[5-[(E)-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-2-furanyl]-, methyl ester
CAS No: 1103723-33-6 Catalog No: AG00JOSU MDL No:
Product Description
Catalog Number:
AG00JOSU
Chemical Name:
Benzoic acid, 4-[5-[(E)-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-2-furanyl]-, methyl ester
CAS Number:
1103723-33-6
Molecular Formula:
C18H15NO4S2
Molecular Weight:
373.4460
IUPAC Name:
methyl 4-[5-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate
InChI:
InChI=1S/C18H15NO4S2/c1-3-19-16(20)15(25-18(19)24)10-13-8-9-14(23-13)11-4-6-12(7-5-11)17(21)22-2/h4-10H,3H2,1-2H3
InChI Key:
WYDZDMRLRNDVBI-UHFFFAOYSA-N
SMILES:
CCN1C(=S)S/C(=C/c2ccc(o2)c2ccc(cc2)C(=O)OC)/C1=O
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.044g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.441g/mol
Monoisotopic Mass:
373.044g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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