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

Systemtic Name: furan-2-ylmethyl 5-[(4-nitrophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: 2-furylmethyl 5-[(4-nitrophenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(4-nitrophenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid 2-furanylmethyl ester IUPAC Name: furan-2-ylmethyl 5-[(4-nitrophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6-keto-5-(4-nitrobenzyl)benzo[b][1,4]benzothiazepine-3-carboxylic acid 2-furfuryl ester Formula: C26H18N2O6S MolecularWeight: 486.49592

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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=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C3=C(S2)C=CC(=C3)C(=O)OCC4=CC=CO4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H18N2O6S/c29-25-21-5-1-2-6-23(21)35-24-12-9-18(26(30)34-16-20-4-3-13-33-20)14-22(24)27(25)15-17-7-10-19(11-8-17)28(31)32/h1-14H,15-16H2