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

Systemtic Name: methyl 3-[(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)sulfonyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[9-methoxy-7-(3-quinolinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)sulfonyl]thiophene-2-carboxylate Traditional Name: 3-[[9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]sulfonyl]thiophene-2-carboxylic acid methyl ester Formula: C25H22N2O6S2 MolecularWeight: 510.58198

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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=CC5=CC=CC=C5N=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)S(=O)(=O)C3=C(SC=C3)C(=O)OC)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C25H22N2O6S2/c1-31-21-13-17(18-11-16-5-3-4-6-20(16)26-14-18)12-19-15-27(8-9-33-23(19)21)35(29,30)22-7-10-34-24(22)25(28)32-2/h3-7,10-14H,8-9,15H2,1-2H3