[(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate

Systemtic Name: [(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate Openeye Name: [(1S)-2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl] 2-(p-tolylmethylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)methylthio]acetic acid [(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methylbenzyl)thio]acetic acid [(1S)-2-keto-1-methyl-2-(p-phenetidino)ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CSCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)CSCC2=CC=C(C=C2)C

InChI

InChI=1S/C21H25NO4S/c1-4-25-19-11-9-18(10-12-19)22-21(24)16(3)26-20(23)14-27-13-17-7-5-15(2)6-8-17/h5-12,16H,4,13-14H2,1-3H3,(H,22,24)/t16-/m0/s1