[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6S/c1-22-10-4-5-14(23-2)11(8-10)13(19)9-24-15(20)12(6-7-25-3)18-16(17)21/h4-5,8,12H,6-7,9H2,1-3H3,(H3,17,18,21)/t12-/m0/s1