2-[(3Z)-5-bromanyl-2-oxidanylidene-3-[4-oxidanylidene-2-sulfanylidene-3-(2-sulfonatoethyl)-1,3-thiazolidin-5-ylidene]indol-1-yl]ethanoate

Systemtic Name: 2-[(3Z)-5-bromanyl-2-oxidanylidene-3-[4-oxidanylidene-2-sulfanylidene-3-(2-sulfonatoethyl)-1,3-thiazolidin-5-ylidene]indol-1-yl]ethanoate Openeye Name: 2-[(3Z)-5-bromo-2-oxo-3-[4-oxo-3-(2-sulfonatoethyl)-2-thioxo-thiazolidin-5-ylidene]indolin-1-yl]acetate CAS Name: 2-[(3Z)-5-bromo-2-oxo-3-[4-oxo-2-sulfanylidene-3-(2-sulfonatoethyl)-5-thiazolidinylidene]-1-indolyl]acetate IUPAC Name: 2-[(3Z)-5-bromo-2-oxo-3-[4-oxo-2-sulfanylidene-3-(2-sulfonatoethyl)-1,3-thiazolidin-5-ylidene]indol-1-yl]acetate Traditional Name: 2-[(3Z)-5-bromo-2-keto-3-[4-keto-3-(2-sulfonatoethyl)-2-thioxo-thiazolidin-5-ylidene]indolin-1-yl]acetate Formula: C15H9BrN2O7S3-2 MolecularWeight: 505.34016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=C3C(=O)N(C(=S)S3)CCS(=O)(=O)[O-])C(=O)N2CC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)/C(=C/3\C(=O)N(C(=S)S3)CCS(=O)(=O)[O-])/C(=O)N2CC(=O)[O-]

InChI

InChI=1S/C15H11BrN2O7S3/c16-7-1-2-9-8(5-7)11(13(21)18(9)6-10(19)20)12-14(22)17(15(26)27-12)3-4-28(23,24)25/h1-2,5H,3-4,6H2,(H,19,20)(H,23,24,25)/p-2/b12-11-