2-[(5E)-5-(5-bromanyl-1-butyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate

Systemtic Name: 2-[(5E)-5-(5-bromanyl-1-butyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Openeye Name: 2-[(5E)-5-(5-bromo-1-butyl-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonate CAS Name: 2-[(5E)-5-(5-bromo-1-butyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonate IUPAC Name: 2-[(5E)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Traditional Name: 2-[(5E)-5-(5-bromo-1-butyl-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonate Formula: C17H16BrN2O5S3- MolecularWeight: 504.41834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)Br)C(=C3C(=O)N(C(=S)S3)CCS(=O)(=O)[O-])C1=O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)Br)/C(=C\3/C(=O)N(C(=S)S3)CCS(=O)(=O)[O-])/C1=O

InChI

InChI=1S/C17H17BrN2O5S3/c1-2-3-6-19-12-5-4-10(18)9-11(12)13(15(19)21)14-16(22)20(17(26)27-14)7-8-28(23,24)25/h4-5,9H,2-3,6-8H2,1H3,(H,23,24,25)/p-1/b14-13+