propan-2-yl 5-[(4-tert-butylphenyl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: propan-2-yl 5-[(4-tert-butylphenyl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 5-[(4-tert-butylbenzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[(4-tert-butylbenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(4-tert-butylbenzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC(C)C

InChI

InChI=1S/C21H24N2O3S/c1-12(2)26-20(25)17-13(3)16(11-22)19(27-17)23-18(24)14-7-9-15(10-8-14)21(4,5)6/h7-10,12H,1-6H3,(H,23,24)