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

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [(1R)-2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [(1R)-2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC=CC=C2SCC(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC=CC=C2SCC(=O)C

InChI

InChI=1S/C21H23NO6S/c1-13(23)12-29-19-8-6-5-7-16(19)21(25)28-14(2)20(24)22-15-9-10-17(26-3)18(11-15)27-4/h5-11,14H,12H2,1-4H3,(H,22,24)/t14-/m1/s1