methyl 6-morpholin-4-yl-11,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-9-carboxylate

Systemtic Name: methyl 6-morpholin-4-yl-11,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-9-carboxylate Openeye Name: methyl 6-morpholino-11,11-dioxo-benzo[b][1,4]benzothiazepine-9-carboxylate CAS Name: 6-(4-morpholinyl)-11,11-dioxo-9-benzo[b][1,4]benzothiazepinecarboxylic acid methyl ester IUPAC Name: methyl 6-morpholin-4-yl-11,11-dioxobenzo[b][1,4]benzothiazepine-9-carboxylate Traditional Name: 11,11-diketo-6-morpholino-benzo[b][1,4]benzothiazepine-9-carboxylic acid methyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=NC3=CC=CC=C3S2(=O)=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=NC3=CC=CC=C3S2(=O)=O)N4CCOCC4

InChI

InChI=1S/C19H18N2O5S/c1-25-19(22)13-6-7-14-17(12-13)27(23,24)16-5-3-2-4-15(16)20-18(14)21-8-10-26-11-9-21/h2-7,12H,8-11H2,1H3