methyl 5-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-ethanoyl-amino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-ethanoyl-amino]thiophene-2-carboxylate Openeye Name: methyl 5-[acetyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]amino]thiophene-2-carboxylate CAS Name: 5-[acetyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[acetyl-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]thiophene-2-carboxylate Traditional Name: 5-[acetyl-[2-(homoveratrylamino)-2-keto-ethyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC(=O)NCCC1=CC(=C(C=C1)OC)OC)C2=CC=C(S2)C(=O)OC

Isomeric SMILES

CC(=O)N(CC(=O)NCCC1=CC(=C(C=C1)OC)OC)C2=CC=C(S2)C(=O)OC

InChI

InChI=1S/C20H24N2O6S/c1-13(23)22(19-8-7-17(29-19)20(25)28-4)12-18(24)21-10-9-14-5-6-15(26-2)16(11-14)27-3/h5-8,11H,9-10,12H2,1-4H3,(H,21,24)