4-[(Z)-[4-oxidanylidene-3-(2-oxidanylidene-1-phenyl-2-propoxy-ethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Systemtic Name: 4-[(Z)-[4-oxidanylidene-3-(2-oxidanylidene-1-phenyl-2-propoxy-ethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Openeye Name: 4-[(Z)-[4-oxo-3-(2-oxo-1-phenyl-2-propoxy-ethyl)-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid CAS Name: 4-[(Z)-[4-oxo-3-(2-oxo-1-phenyl-2-propoxyethyl)-2-sulfanylidene-5-thiazolidinylidene]methyl]benzoic acid IUPAC Name: 4-[(Z)-[4-oxo-3-(2-oxo-1-phenyl-2-propoxyethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid Traditional Name: 4-[(Z)-[4-keto-3-(2-keto-1-phenyl-2-propoxy-ethyl)-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid Formula: C22H19NO5S2 MolecularWeight: 441.51996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C1=CC=CC=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=S

Isomeric SMILES

CCCOC(=O)C(C1=CC=CC=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/SC2=S

InChI

InChI=1S/C22H19NO5S2/c1-2-12-28-21(27)18(15-6-4-3-5-7-15)23-19(24)17(30-22(23)29)13-14-8-10-16(11-9-14)20(25)26/h3-11,13,18H,2,12H2,1H3,(H,25,26)/b17-13-