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

Systemtic Name: 2-[5-[1-[(4-methylphenyl)methyl]-2-oxidanylidene-indol-3-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Openeye Name: 2-[4-oxo-5-[2-oxo-1-(p-tolylmethyl)indolin-3-ylidene]-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid CAS Name: 2-[5-[1-[(4-methylphenyl)methyl]-2-oxo-3-indolylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid IUPAC Name: 2-[5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Traditional Name: 2-[4-keto-5-[2-keto-1-(4-methylbenzyl)indolin-3-ylidene]-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid Formula: C21H18N2O5S3 MolecularWeight: 474.57302

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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=C3C(=C4C(=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)