methyl 2-[(4-butoxyphenyl)carbonylamino]-4-(4-chlorophenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-butoxyphenyl)carbonylamino]-4-(4-chlorophenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(4-butoxybenzoyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]-4-(4-chlorophenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-butoxybenzoyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylate Traditional Name: 2-[(4-butoxybenzoyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid methyl ester Formula: C23H22ClNO4S MolecularWeight: 443.94308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C23H22ClNO4S/c1-3-4-13-29-18-11-7-16(8-12-18)21(26)25-22-20(23(27)28-2)19(14-30-22)15-5-9-17(24)10-6-15/h5-12,14H,3-4,13H2,1-2H3,(H,25,26)