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

Systemtic Name: methyl 2-[(7-chloranyl-9-methoxy-1-benzoxepin-4-yl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(7-chloro-9-methoxy-1-benzoxepin-4-yl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(7-chloro-9-methoxy-1-benzoxepin-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H22ClNO5S MolecularWeight: 459.94248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=CC(=CC(=C4OC=C3)OC)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=CC(=CC(=C4OC=C3)OC)Cl

InChI

InChI=1S/C23H22ClNO5S/c1-12-4-5-16-18(8-12)31-22(19(16)23(27)29-3)25-21(26)13-6-7-30-20-14(9-13)10-15(24)11-17(20)28-2/h6-7,9-12H,4-5,8H2,1-3H3,(H,25,26)