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

Systemtic Name: 2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxidanylidene-indol-3-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Openeye Name: 2-[(5Z)-4-oxo-5-[2-oxo-1-(p-tolylmethyl)indolin-3-ylidene]-2-thioxo-thiazolidin-3-yl]ethanesulfonate CAS Name: 2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxo-3-indolylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonate IUPAC Name: 2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Traditional Name: 2-[(5Z)-4-keto-5-[2-keto-1-(4-methylbenzyl)indolin-3-ylidene]-2-thioxo-thiazolidin-3-yl]ethanesulfonate Formula: C21H17N2O5S3- MolecularWeight: 473.56508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C4C(=O)N(C(=S)S4)CCS(=O)(=O)[O-])C2=O

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5S3/c1-13-6-8-14(9-7-13)12-23-16-5-3-2-4-15(16)17(19(23)24)18-20(25)22(21(29)30-18)10-11-31(26,27)28/h2-9H,10-12H2,1H3,(H,26,27,28)/p-1/b18-17-