ethyl 2-[(7-chloranyl-9-methoxy-1-benzoxepin-4-yl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(7-chloranyl-9-methoxy-1-benzoxepin-4-yl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(7-chloro-9-methoxy-1-benzoxepin-4-yl)-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(7-chloro-9-methoxy-1-benzoxepin-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H26ClNO5S MolecularWeight: 487.99564

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClNO5S/c1-4-14-6-7-18-20(10-14)33-24(21(18)25(29)31-5-2)27-23(28)15-8-9-32-22-16(11-15)12-17(26)13-19(22)30-3/h8-9,11-14H,4-7,10H2,1-3H3,(H,27,28)