[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C2=CC=CC=C2NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)C2=CC=CC=C2NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C22H22N4O4S/c1-15-7-3-5-9-17(15)24-19(27)13-30-21(29)16-8-4-6-10-18(16)25-20(28)14-31-22-23-11-12-26(22)2/h3-12H,13-14H2,1-2H3,(H,24,27)(H,25,28)