2-[(5Z)-5-[5-bromanyl-1-[(4-methylphenyl)methyl]-2-oxidanylidene-indol-3-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate

Systemtic Name: 2-[(5Z)-5-[5-bromanyl-1-[(4-methylphenyl)methyl]-2-oxidanylidene-indol-3-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Openeye Name: 2-[(5Z)-5-[5-bromo-2-oxo-1-(p-tolylmethyl)indolin-3-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonate CAS Name: 2-[(5Z)-5-[5-bromo-1-[(4-methylphenyl)methyl]-2-oxo-3-indolylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonate IUPAC Name: 2-[(5Z)-5-[5-bromo-1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Traditional Name: 2-[(5Z)-5-[5-bromo-2-keto-1-(4-methylbenzyl)indolin-3-ylidene]-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonate Formula: C21H16BrN2O5S3- MolecularWeight: 552.46114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C(=C4C(=O)N(C(=S)S4)CCS(=O)(=O)[O-])C2=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)/C(=C/4\C(=O)N(C(=S)S4)CCS(=O)(=O)[O-])/C2=O

InChI

InChI=1S/C21H17BrN2O5S3/c1-12-2-4-13(5-3-12)11-24-16-7-6-14(22)10-15(16)17(19(24)25)18-20(26)23(21(30)31-18)8-9-32(27,28)29/h2-7,10H,8-9,11H2,1H3,(H,27,28,29)/p-1/b18-17-