methyl 5-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylmethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[2-(homoveratrylamino)-2-keto-ethyl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSCC(=O)NCCC2=CC(=C(C=C2)OC)OC)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSCC(=O)NCCC2=CC(=C(C=C2)OC)OC)C(=O)OC

InChI

InChI=1S/C20H25NO6S/c1-13-16(20(23)26-4)10-15(27-13)11-28-12-19(22)21-8-7-14-5-6-17(24-2)18(9-14)25-3/h5-6,9-10H,7-8,11-12H2,1-4H3,(H,21,22)