2-[(5E)-5-(1H-indol-3-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

Systemtic Name: 2-[(5E)-5-(1H-indol-3-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Openeye Name: 2-[(5E)-5-(1H-indol-3-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]butanedioic acid CAS Name: 2-[(5E)-5-(1H-indol-3-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanedioic acid IUPAC Name: 2-[(5E)-5-(1H-indol-3-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Traditional Name: 2-[(5E)-5-(1H-indol-3-ylmethylene)-4-keto-2-thioxo-thiazolidin-3-yl]succinic acid Formula: C16H12N2O5S2 MolecularWeight: 376.40688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C=C3C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)/C=C/3\C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H12N2O5S2/c19-13(20)6-11(15(22)23)18-14(21)12(25-16(18)24)5-8-7-17-10-4-2-1-3-9(8)10/h1-5,7,11,17H,6H2,(H,19,20)(H,22,23)/b12-5+