methyl 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(veratrylamino)ethyl]thio]propionic acid methyl ester Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSCCC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSCCC(=O)OC)OC

InChI

InChI=1S/C15H21NO5S/c1-19-12-5-4-11(8-13(12)20-2)9-16-14(17)10-22-7-6-15(18)21-3/h4-5,8H,6-7,9-10H2,1-3H3,(H,16,17)