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

Systemtic Name: methyl 2-(3,3-dimethylbutanoylamino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(3,3-dimethylbutanoylamino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[(3,3-dimethyl-1-oxobutyl)amino]-4-(4-ethoxyphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,3-dimethylbutanoylamino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-(3,3-dimethylbutanoylamino)-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4S/c1-6-25-14-9-7-13(8-10-14)15-12-26-18(17(15)19(23)24-5)21-16(22)11-20(2,3)4/h7-10,12H,6,11H2,1-5H3,(H,21,22)