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

Systemtic Name: methyl 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(veratrylamino)ethyl]thio]acetic acid methyl ester Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-18-11-5-4-10(6-12(11)19-2)7-15-13(16)8-21-9-14(17)20-3/h4-6H,7-9H2,1-3H3,(H,15,16)