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

Systemtic Name: furan-2-ylmethyl 5-[(3-fluorophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: 2-furylmethyl 5-[(3-fluorophenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(3-fluorophenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid 2-furanylmethyl ester IUPAC Name: furan-2-ylmethyl 5-[(3-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 5-(3-fluorobenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylic acid 2-furfuryl ester Formula: C26H18FNO4S MolecularWeight: 459.488823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C3=C(S2)C=CC(=C3)C(=O)OCC4=CC=CO4)CC5=CC(=CC=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C3=C(S2)C=CC(=C3)C(=O)OCC4=CC=CO4)CC5=CC(=CC=C5)F

InChI

InChI=1S/C26H18FNO4S/c27-19-6-3-5-17(13-19)15-28-22-14-18(26(30)32-16-20-7-4-12-31-20)10-11-24(22)33-23-9-2-1-8-21(23)25(28)29/h1-14H,15-16H2