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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H22N2O4S/c1-14-4-3-5-17(10-14)22-19(24)13-27-12-18(23)21-11-15-6-8-16(9-7-15)20(25)26-2/h3-10H,11-13H2,1-2H3,(H,21,23)(H,22,24)