[(1R)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [(1R)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [(1R)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)O[C@H](C2=CC=CC=C2)C(=O)NC(=O)NC)C

InChI

InChI=1S/C21H24N2O4S/c1-14-9-10-17(13-15(14)2)28-12-11-18(24)27-19(16-7-5-4-6-8-16)20(25)23-21(26)22-3/h4-10,13,19H,11-12H2,1-3H3,(H2,22,23,25,26)/t19-/m1/s1