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

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-(3,3-dimethylbutanoylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-(3,3-dimethylbutanoylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[(3,3-dimethyl-1-oxobutyl)amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-(3,3-dimethylbutanoylamino)-5-methylthiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-(3,3-dimethylbutanoylamino)-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H24ClNO3S MolecularWeight: 393.92746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClNO3S/c1-6-25-19(24)17-16(13-7-9-14(21)10-8-13)12(2)26-18(17)22-15(23)11-20(3,4)5/h7-10H,6,11H2,1-5H3,(H,22,23)