propan-2-yl 4-(4-cyclohexylphenyl)-5-methyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate

Systemtic Name: propan-2-yl 4-(4-cyclohexylphenyl)-5-methyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate Openeye Name: isopropyl 4-(4-cyclohexylphenyl)-5-methyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-cyclohexylphenyl)-5-methyl-2-[(3-methyl-1-oxobutyl)amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(4-cyclohexylphenyl)-5-methyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-cyclohexylphenyl)-2-(isovalerylamino)-5-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C26H35NO3S MolecularWeight: 441.626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CC(C)C)C(=O)OC(C)C)C2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CC(C)C)C(=O)OC(C)C)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C26H35NO3S/c1-16(2)15-22(28)27-25-24(26(29)30-17(3)4)23(18(5)31-25)21-13-11-20(12-14-21)19-9-7-6-8-10-19/h11-14,16-17,19H,6-10,15H2,1-5H3,(H,27,28)