ethyl (2E)-2-[[2-(3,4-dimethoxyphenyl)ethylamino]-methylsulfanyl-methylidene]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2E)-2-[[2-(3,4-dimethoxyphenyl)ethylamino]-methylsulfanyl-methylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl (2E)-2-[[2-(3,4-dimethoxyphenyl)ethylamino]-methylsulfanyl-methylene]-3-oxo-butanoate CAS Name: (2E)-2-[[2-(3,4-dimethoxyphenyl)ethylamino]-(methylthio)methylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[[2-(3,4-dimethoxyphenyl)ethylamino]-methylsulfanylmethylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(homoveratrylamino)-3-(methylthio)acrylic acid ethyl ester Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NCCC1=CC(=C(C=C1)OC)OC)SC)C(=O)C

Isomeric SMILES

CCOC(=O)/C(=C(\NCCC1=CC(=C(C=C1)OC)OC)/SC)/C(=O)C

InChI

InChI=1S/C18H25NO5S/c1-6-24-18(21)16(12(2)20)17(25-5)19-10-9-13-7-8-14(22-3)15(11-13)23-4/h7-8,11,19H,6,9-10H2,1-5H3/b17-16+