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

Systemtic Name: 2-[(5E)-5-(1-methyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Openeye Name: 2-[(5E)-5-(1-methyl-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]butanedioic acid CAS Name: 2-[(5E)-5-(1-methyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanedioic acid IUPAC Name: 2-[(5E)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Traditional Name: 2-[(5E)-4-keto-5-(2-keto-1-methyl-indolin-3-ylidene)-2-thioxo-thiazolidin-3-yl]succinic acid Formula: C16H12N2O6S2 MolecularWeight: 392.40628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C3C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O)C1=O

Isomeric SMILES

CN1C2=CC=CC=C2/C(=C\3/C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O)/C1=O

InChI

InChI=1S/C16H12N2O6S2/c1-17-8-5-3-2-4-7(8)11(13(17)21)12-14(22)18(16(25)26-12)9(15(23)24)6-10(19)20/h2-5,9H,6H2,1H3,(H,19,20)(H,23,24)/b12-11+