ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-5-methyl-2-[(3-methyl-1-oxobutyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(isovalerylamino)-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)OC)OC)C)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)OC)OC)C)NC(=O)CC(C)C

InChI

InChI=1S/C21H27NO5S/c1-7-27-21(24)19-18(14-8-9-15(25-5)16(11-14)26-6)13(4)28-20(19)22-17(23)10-12(2)3/h8-9,11-12H,7,10H2,1-6H3,(H,22,23)