2-[(5E)-5-(5-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid

Systemtic Name: 2-[(5E)-5-(5-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Openeye Name: 2-[(5E)-5-(5-bromo-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]pentanedioic acid CAS Name: 2-[(5E)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanedioic acid IUPAC Name: 2-[(5E)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Traditional Name: 2-[(5E)-5-(5-bromo-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]glutaric acid Formula: C16H11BrN2O6S2 MolecularWeight: 471.30234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=C3C(=O)N(C(=S)S3)C(CCC(=O)O)C(=O)O)C(=O)N2

Isomeric SMILES

C1=CC2=C(C=C1Br)/C(=C\3/C(=O)N(C(=S)S3)C(CCC(=O)O)C(=O)O)/C(=O)N2

InChI

InChI=1S/C16H11BrN2O6S2/c17-6-1-2-8-7(5-6)11(13(22)18-8)12-14(23)19(16(26)27-12)9(15(24)25)3-4-10(20)21/h1-2,5,9H,3-4H2,(H,18,22)(H,20,21)(H,24,25)/b12-11+