ethyl 6-ethyl-2-[(7-methoxy-1-benzoxepin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-ethyl-2-[(7-methoxy-1-benzoxepin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-ethyl-2-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-2-[[(7-methoxy-1-benzoxepin-4-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-2-[(7-methoxy-1-benzoxepine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-[(7-methoxy-1-benzoxepin-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC4=C(C=CC(=C4)OC)OC=C3

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC4=C(C=CC(=C4)OC)OC=C3

InChI

InChI=1S/C25H27NO5S/c1-4-15-6-8-19-21(12-15)32-24(22(19)25(28)30-5-2)26-23(27)16-10-11-31-20-9-7-18(29-3)14-17(20)13-16/h7,9-11,13-15H,4-6,8,12H2,1-3H3,(H,26,27)