ethyl 2-(1-benzoxepin-4-ylcarbonylamino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(1-benzoxepin-4-ylcarbonylamino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(1-benzoxepine-4-carbonylamino)-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-benzoxepin-4-yl(oxo)methyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-benzoxepine-4-carbonylamino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(1-benzoxepin-4-carbonylamino)-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC4=CC=CC=C4OC=C3

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC4=CC=CC=C4OC=C3

InChI

InChI=1S/C24H25NO4S/c1-3-15-9-10-18-20(13-15)30-23(21(18)24(27)28-4-2)25-22(26)17-11-12-29-19-8-6-5-7-16(19)14-17/h5-8,11-12,14-15H,3-4,9-10,13H2,1-2H3,(H,25,26)