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

Systemtic Name: furan-2-ylmethyl 6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: 2-furylmethyl 5-benzyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxylic acid 2-furanylmethyl ester IUPAC Name: furan-2-ylmethyl 5-benzyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 5-benzyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylic acid 2-furfuryl ester Formula: C26H19NO4S MolecularWeight: 441.49836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)OCC4=CC=CO4)SC5=CC=CC=C5C2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)OCC4=CC=CO4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C26H19NO4S/c28-25-21-10-4-5-11-23(21)32-24-13-12-19(26(29)31-17-20-9-6-14-30-20)15-22(24)27(25)16-18-7-2-1-3-8-18/h1-15H,16-17H2