methyl 3-[(9-methoxy-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)sulfonyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(9-methoxy-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)sulfonyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[9-methoxy-7-(3-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[9-methoxy-7-(3-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(9-methoxy-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)sulfonyl]thiophene-2-carboxylate Traditional Name: 3-[[9-methoxy-7-(3-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]sulfonyl]thiophene-2-carboxylic acid methyl ester Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)S(=O)(=O)C3=C(SC=C3)C(=O)OC)C4=CN=CC=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)S(=O)(=O)C3=C(SC=C3)C(=O)OC)C4=CN=CC=C4

InChI

InChI=1S/C21H20N2O6S2/c1-27-17-11-15(14-4-3-6-22-12-14)10-16-13-23(7-8-29-19(16)17)31(25,26)18-5-9-30-20(18)21(24)28-2/h3-6,9-12H,7-8,13H2,1-2H3