[(2R)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-ethoxyphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: [(1R)-2-(2-acetylanilino)-1-methyl-2-oxo-ethyl] 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic acid [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid [(1R)-2-(2-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)OC(C)C(=O)NC2=CC=CC=C2C(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)O[C@H](C)C(=O)NC2=CC=CC=C2C(=O)C

InChI

InChI=1S/C21H23NO5S/c1-4-26-16-9-11-17(12-10-16)28-13-20(24)27-15(3)21(25)22-19-8-6-5-7-18(19)14(2)23/h5-12,15H,4,13H2,1-3H3,(H,22,25)/t15-/m1/s1