[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C(=O)C)C

InChI

InChI=1S/C21H23NO4S/c1-13-5-10-19(11-14(13)2)27-12-20(24)26-16(4)21(25)22-18-8-6-17(7-9-18)15(3)23/h5-11,16H,12H2,1-4H3,(H,22,25)/t16-/m1/s1