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

Systemtic Name: methyl 2-[(3,4-dimethoxyphenyl)carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(3,4-dimethoxyphenyl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(3,4-dimethoxyanilino)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(3,4-dimethoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(3,4-dimethoxyphenyl)carbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C15H22N2O5S MolecularWeight: 342.41058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O5S/c1-20-12-6-5-10(9-13(12)21-2)16-15(19)17-11(7-8-23-4)14(18)22-3/h5-6,9,11H,7-8H2,1-4H3,(H2,16,17,19)