methyl (2R,3S)-2-(3,5-dimethoxyphenyl)-4-(methylamino)-3-methylsulfanyl-4-oxidanylidene-butanoate

Systemtic Name: methyl (2R,3S)-2-(3,5-dimethoxyphenyl)-4-(methylamino)-3-methylsulfanyl-4-oxidanylidene-butanoate Openeye Name: methyl (2R,3S)-2-(3,5-dimethoxyphenyl)-4-(methylamino)-3-methylsulfanyl-4-oxo-butanoate CAS Name: (2R,3S)-2-(3,5-dimethoxyphenyl)-4-(methylamino)-3-(methylthio)-4-oxobutanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-(3,5-dimethoxyphenyl)-4-(methylamino)-3-methylsulfanyl-4-oxobutanoate Traditional Name: (2R,3S)-2-(3,5-dimethoxyphenyl)-4-keto-4-(methylamino)-3-(methylthio)butyric acid methyl ester Formula: C15H21NO5S MolecularWeight: 327.39594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(C(C1=CC(=CC(=C1)OC)OC)C(=O)OC)SC

Isomeric SMILES

CNC(=O)[C@H]([C@H](C1=CC(=CC(=C1)OC)OC)C(=O)OC)SC

InChI

InChI=1S/C15H21NO5S/c1-16-14(17)13(22-5)12(15(18)21-4)9-6-10(19-2)8-11(7-9)20-3/h6-8,12-13H,1-5H3,(H,16,17)/t12-,13-/m0/s1