ethyl 4-(2,4-dimethylphenyl)-2-[(4-pentoxyphenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2,4-dimethylphenyl)-2-[(4-pentoxyphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2,4-dimethylphenyl)-2-[(4-pentoxybenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(2,4-dimethylphenyl)-2-[[oxo-(4-pentoxyphenyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,4-dimethylphenyl)-2-[(4-pentoxybenzoyl)amino]thiophene-3-carboxylate Traditional Name: 2-[(4-amoxybenzoyl)amino]-4-(2,4-dimethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=C(C=C(C=C3)C)C)C(=O)OCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=C(C=C(C=C3)C)C)C(=O)OCC

InChI

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