ethyl 2-[(4-butoxyphenyl)carbonylamino]-4-(2,5-dimethylphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-butoxyphenyl)carbonylamino]-4-(2,5-dimethylphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]-4-(2,5-dimethylphenyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-butoxybenzoyl)amino]-4-(2,5-dimethylphenyl)-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C)C3=C(C=CC(=C3)C)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C)C3=C(C=CC(=C3)C)C)C(=O)OCC

InChI

InChI=1S/C27H31NO4S/c1-6-8-15-32-21-13-11-20(12-14-21)25(29)28-26-24(27(30)31-7-2)23(19(5)33-26)22-16-17(3)9-10-18(22)4/h9-14,16H,6-8,15H2,1-5H3,(H,28,29)