furan-2-ylmethyl 5-(2-morpholin-4-ylethyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: furan-2-ylmethyl 5-(2-morpholin-4-ylethyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: 2-furylmethyl 5-(2-morpholinoethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[2-(4-morpholinyl)ethyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid 2-furanylmethyl ester IUPAC Name: furan-2-ylmethyl 5-(2-morpholin-4-ylethyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6-keto-5-(2-morpholinoethyl)benzo[b][1,4]benzothiazepine-3-carboxylic acid 2-furfuryl ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN2C3=C(C=CC(=C3)C(=O)OCC4=CC=CO4)SC5=CC=CC=C5C2=O

Isomeric SMILES

C1COCCN1CCN2C3=C(C=CC(=C3)C(=O)OCC4=CC=CO4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C25H24N2O5S/c28-24-20-5-1-2-6-22(20)33-23-8-7-18(25(29)32-17-19-4-3-13-31-19)16-21(23)27(24)10-9-26-11-14-30-15-12-26/h1-8,13,16H,9-12,14-15,17H2