3-[(E)-[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Systemtic Name: 3-[(E)-[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Openeye Name: 3-[(E)-(3-benzyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]benzoic acid CAS Name: 3-[(E)-[4-oxo-3-(phenylmethyl)-2-sulfanylidene-5-thiazolidinylidene]methyl]benzoic acid IUPAC Name: 3-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid Traditional Name: 3-[(E)-(3-benzyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]benzoic acid Formula: C18H13NO3S2 MolecularWeight: 355.43072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=CC3=CC(=CC=C3)C(=O)O)SC2=S

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC(=CC=C3)C(=O)O)/SC2=S

InChI

InChI=1S/C18H13NO3S2/c20-16-15(10-13-7-4-8-14(9-13)17(21)22)24-18(23)19(16)11-12-5-2-1-3-6-12/h1-10H,11H2,(H,21,22)/b15-10+