propyl 4-(4-tert-butylphenyl)-2-(3-cyclopentylpropanoylamino)-5-methyl-thiophene-3-carboxylate

Systemtic Name: propyl 4-(4-tert-butylphenyl)-2-(3-cyclopentylpropanoylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: propyl 4-(4-tert-butylphenyl)-2-(3-cyclopentylpropanoylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-tert-butylphenyl)-2-[(3-cyclopentyl-1-oxopropyl)amino]-5-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 4-(4-tert-butylphenyl)-2-(3-cyclopentylpropanoylamino)-5-methylthiophene-3-carboxylate Traditional Name: 4-(4-tert-butylphenyl)-2-(3-cyclopentylpropanoylamino)-5-methyl-thiophene-3-carboxylic acid propyl ester Formula: C27H37NO3S MolecularWeight: 455.65258

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C(C)(C)C)C)NC(=O)CCC3CCCC3

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C(C)(C)C)C)NC(=O)CCC3CCCC3

InChI

InChI=1S/C27H37NO3S/c1-6-17-31-26(30)24-23(20-12-14-21(15-13-20)27(3,4)5)18(2)32-25(24)28-22(29)16-11-19-9-7-8-10-19/h12-15,19H,6-11,16-17H2,1-5H3,(H,28,29)