[(2R)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-ethoxyphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: [(1R)-2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic acid [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid [(1R)-2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S/c1-5-27-16-7-9-17(10-8-16)29-13-20(23)28-14(2)21(24)22-15-6-11-18(25-3)19(12-15)26-4/h6-12,14H,5,13H2,1-4H3,(H,22,24)/t14-/m1/s1