ethyl 4-(4-tert-butylphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-tert-butylphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-tert-butylphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-tert-butylphenyl)-2-[(3-methyl-1-oxobutyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-tert-butylphenyl)-2-(3-methylbutanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-tert-butylphenyl)-2-(isovalerylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO3S/c1-7-26-21(25)19-17(13-27-20(19)23-18(24)12-14(2)3)15-8-10-16(11-9-15)22(4,5)6/h8-11,13-14H,7,12H2,1-6H3,(H,23,24)