ethyl 2-(1-benzoxepin-4-ylcarbonylamino)-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1-benzoxepin-4-ylcarbonylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(1-benzoxepine-4-carbonylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[1-benzoxepin-4-yl(oxo)methyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-benzoxepine-4-carbonylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-(1-benzoxepin-4-carbonylamino)-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H21NO4S MolecularWeight: 431.50354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=CC4=CC=CC=C4OC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=CC4=CC=CC=C4OC=C3

InChI

InChI=1S/C25H21NO4S/c1-3-29-25(28)22-20(17-10-8-16(2)9-11-17)15-31-24(22)26-23(27)19-12-13-30-21-7-5-4-6-18(21)14-19/h4-15H,3H2,1-2H3,(H,26,27)