ethyl 2-[(4-butoxyphenyl)carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-butoxyphenyl)carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-butoxybenzoyl)amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-butoxybenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(4-butoxybenzoyl)amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H27NO4S MolecularWeight: 437.55118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OCC

InChI

InChI=1S/C25H27NO4S/c1-4-6-15-30-20-13-11-19(12-14-20)23(27)26-24-22(25(28)29-5-2)21(16-31-24)18-9-7-17(3)8-10-18/h7-14,16H,4-6,15H2,1-3H3,(H,26,27)