[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)[C@@H](CCSC)NC(=O)N)OC

InChI

InChI=1S/C16H22N2O6S/c1-22-13-5-4-10(8-14(13)23-2)12(19)9-24-15(20)11(6-7-25-3)18-16(17)21/h4-5,8,11H,6-7,9H2,1-3H3,(H3,17,18,21)/t11-/m1/s1