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

Systemtic Name: methyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(veratrylcarbamoylamino)butyric acid methyl ester Formula: C16H24N2O5S MolecularWeight: 356.43716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O5S/c1-21-13-6-5-11(9-14(13)22-2)10-17-16(20)18-12(7-8-24-4)15(19)23-3/h5-6,9,12H,7-8,10H2,1-4H3,(H2,17,18,20)