2-[5-bromanyl-2-oxidanylidene-3-[4-oxidanylidene-2-sulfanylidene-3-(2-sulfoethyl)-1,3-thiazolidin-5-ylidene]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-bromanyl-2-oxidanylidene-3-[4-oxidanylidene-2-sulfanylidene-3-(2-sulfoethyl)-1,3-thiazolidin-5-ylidene]indol-1-yl]ethanoic acid Openeye Name: 2-[5-bromo-2-oxo-3-[4-oxo-3-(2-sulfoethyl)-2-thioxo-thiazolidin-5-ylidene]indolin-1-yl]acetic acid CAS Name: 2-[5-bromo-2-oxo-3-[4-oxo-2-sulfanylidene-3-(2-sulfoethyl)-5-thiazolidinylidene]-1-indolyl]acetic acid IUPAC Name: 2-[5-bromo-2-oxo-3-[4-oxo-2-sulfanylidene-3-(2-sulfoethyl)-1,3-thiazolidin-5-ylidene]indol-1-yl]acetic acid Traditional Name: 2-[5-bromo-2-keto-3-[4-keto-3-(2-sulfoethyl)-2-thioxo-thiazolidin-5-ylidene]indolin-1-yl]acetic acid Formula: C15H11BrN2O7S3 MolecularWeight: 507.35604

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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(=C3C(=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)