[(1R)-1-cyanoethyl] 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [(1R)-1-cyanoethyl] 2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]benzoic acid [(1R)-1-cyanoethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=CC=C1SCC(=O)NC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC=CC=C1SCC(=O)NC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H20N2O5S/c1-13(11-21)27-20(24)15-6-4-5-7-18(15)28-12-19(23)22-14-8-9-16(25-2)17(10-14)26-3/h4-10,13H,12H2,1-3H3,(H,22,23)/t13-/m1/s1