[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-(5-acetamido-2-methoxy-anilino)-2-oxo-ethyl] (2R)-2-(p-tolylsulfanyl)propanoate CAS Name: (2R)-2-[(4-methylphenyl)thio]propanoic acid [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] (2R)-2-(4-methylphenyl)sulfanylpropanoate Traditional Name: (2R)-2-(p-tolylthio)propionic acid [2-(5-acetamido-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H](C)C(=O)OCC(=O)NC2=C(C=CC(=C2)NC(=O)C)OC

InChI

InChI=1S/C21H24N2O5S/c1-13-5-8-17(9-6-13)29-14(2)21(26)28-12-20(25)23-18-11-16(22-15(3)24)7-10-19(18)27-4/h5-11,14H,12H2,1-4H3,(H,22,24)(H,23,25)/t14-/m1/s1