[(2S)-1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [(2S)-1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [(1S)-2-(2-ethoxyanilino)-1-methyl-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [(1S)-2-keto-1-methyl-2-(o-phenetidino)ethyl] ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C)OC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H22ClNO4S/c1-3-25-18-7-5-4-6-17(18)22-20(24)14(2)26-19(23)12-13-27-16-10-8-15(21)9-11-16/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)/t14-/m0/s1