methyl (11E)-11-(2-thiomorpholin-4-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl (11E)-11-(2-thiomorpholin-4-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl (11E)-11-(2-thiomorpholinoethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11E)-11-(2-thiomorpholin-4-ylethylidene)-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl (11E)-11-(2-thiomorpholin-4-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11E)-11-(2-thiomorpholinoethylidene)-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2=CCN4CCSCC4

Isomeric SMILES

COC(=O)C1=CC\2=C(C=C1)OCC3=CC=CC=C3/C2=C\CN4CCSCC4

InChI

InChI=1S/C22H23NO3S/c1-25-22(24)16-6-7-21-20(14-16)19(8-9-23-10-12-27-13-11-23)18-5-3-2-4-17(18)15-26-21/h2-8,14H,9-13,15H2,1H3/b19-8+