[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butanoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butyric acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C22H28N2O7S2 MolecularWeight: 496.59692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)[C@H](CCSC)NS(=O)(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C22H28N2O7S2/c1-29-19-10-9-16(13-20(19)30-2)14-23-21(25)15-31-22(26)18(11-12-32-3)24-33(27,28)17-7-5-4-6-8-17/h4-10,13,18,24H,11-12,14-15H2,1-3H3,(H,23,25)/t18-/m0/s1