ethyl 4-(3,4-dimethylphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[(3-methyl-1-oxobutyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-(isovalerylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3S/c1-6-24-20(23)18-16(15-8-7-13(4)14(5)10-15)11-25-19(18)21-17(22)9-12(2)3/h7-8,10-12H,6,9H2,1-5H3,(H,21,22)