methyl (2R)-2-[(3,4-dimethoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[(3,4-dimethoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[(3,4-dimethoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(3,4-dimethoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(veratroylamino)butyric acid methyl ester Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5S/c1-19-12-6-5-10(9-13(12)20-2)14(17)16-11(7-8-22-4)15(18)21-3/h5-6,9,11H,7-8H2,1-4H3,(H,16,17)/t11-/m1/s1