methyl 4-methyl-3-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[2-keto-2-(p-toluidino)ethyl]thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C20H22N2O4S/c1-13-4-8-16(9-5-13)21-18(23)11-27-12-19(24)22-17-10-15(20(25)26-3)7-6-14(17)2/h4-10H,11-12H2,1-3H3,(H,21,23)(H,22,24)