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

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C21H27NO5S/c1-5-6-16-12-19(28-14(16)2)21(24)27-13-20(23)22-10-9-15-7-8-17(25-3)18(11-15)26-4/h7-8,11-12H,5-6,9-10,13H2,1-4H3,(H,22,23)