methyl 2-(3,3-dimethylbutanoylamino)-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(3,3-dimethylbutanoylamino)-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3,3-dimethylbutanoylamino)-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[(3,3-dimethyl-1-oxobutyl)amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,3-dimethylbutanoylamino)-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-(3,3-dimethylbutanoylamino)-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CC(C)(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CC(C)(C)C)C

InChI

InChI=1S/C21H27NO4S/c1-7-26-15-10-8-14(9-11-15)17-13(2)27-19(18(17)20(24)25-6)22-16(23)12-21(3,4)5/h8-11H,7,12H2,1-6H3,(H,22,23)