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

Systemtic Name: ethyl 2-(1-benzoxepin-4-ylcarbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(1-benzoxepine-4-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylate CAS Name: 2-[[1-benzoxepin-4-yl(oxo)methyl]amino]-4-(4-chlorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-benzoxepine-4-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylate Traditional Name: 2-(1-benzoxepin-4-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H18ClNO4S MolecularWeight: 451.92202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18ClNO4S/c1-2-29-24(28)21-19(15-7-9-18(25)10-8-15)14-31-23(21)26-22(27)17-11-12-30-20-6-4-3-5-16(20)13-17/h3-14H,2H2,1H3,(H,26,27)