[(2R)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-ethoxyphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: [(1R)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic acid [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid [(1R)-2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)OC(C)C(=O)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)O[C@H](C)C(=O)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H25NO4S/c1-5-25-17-8-10-18(11-9-17)27-13-20(23)26-16(4)21(24)22-19-12-14(2)6-7-15(19)3/h6-12,16H,5,13H2,1-4H3,(H,22,24)/t16-/m1/s1