methyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]propanoate

Systemtic Name: methyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]propanoate Openeye Name: methyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]propanoate CAS Name: 3-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]propanoate Traditional Name: 3-(homoveratrylthiocarbamoylamino)propionic acid methyl ester Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NCCC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NCCC(=O)OC)OC

InChI

InChI=1S/C15H22N2O4S/c1-19-12-5-4-11(10-13(12)20-2)6-8-16-15(22)17-9-7-14(18)21-3/h4-5,10H,6-9H2,1-3H3,(H2,16,17,22)