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

Systemtic Name: methyl 3-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[[2-keto-2-(p-toluidino)ethyl]thio]acetyl]amino]-3-phenyl-propionic 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)CSCC(=O)NC(CC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-15-8-10-17(11-9-15)22-19(24)13-28-14-20(25)23-18(12-21(26)27-2)16-6-4-3-5-7-16/h3-11,18H,12-14H2,1-2H3,(H,22,24)(H,23,25)