propan-2-yl 3-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[[2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[[2-(3-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[[2-keto-2-(m-toluidino)ethyl]thio]acetyl]amino]-3-phenyl-propionic acid isopropyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-16(2)29-23(28)13-20(18-9-5-4-6-10-18)25-22(27)15-30-14-21(26)24-19-11-7-8-17(3)12-19/h4-12,16,20H,13-15H2,1-3H3,(H,24,26)(H,25,27)