[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate

Systemtic Name: [(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate Openeye Name: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 2-(p-tolylmethylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)methylthio]acetic acid [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methylbenzyl)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=CC=C(C=C1)CSCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4S/c1-14-4-6-17(7-5-14)12-27-13-20(24)26-16(3)21(25)22-19-10-8-18(9-11-19)15(2)23/h4-11,16H,12-13H2,1-3H3,(H,22,25)/t16-/m1/s1