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

Systemtic Name: methyl 4-[[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoylamino]methyl]benzoate CAS Name: 4-[[[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoylamino]methyl]benzoate Traditional Name: 4-[[2-[[2-keto-2-(p-toluidino)ethyl]thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-14-4-10-18(11-5-14)23-19(24)13-28-15(2)20(25)22-12-16-6-8-17(9-7-16)21(26)27-3/h4-11,15H,12-13H2,1-3H3,(H,22,25)(H,23,24)