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

Systemtic Name: oxolan-2-ylmethyl 5-[(3-nitrophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: tetrahydrofuran-2-ylmethyl 5-[(3-nitrophenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(3-nitrophenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 5-[(3-nitrophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6-keto-5-(3-nitrobenzyl)benzo[b][1,4]benzothiazepine-3-carboxylic acid tetrahydrofurfuryl ester Formula: C26H22N2O6S MolecularWeight: 490.52768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)COC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H22N2O6S/c29-25-21-8-1-2-9-23(21)35-24-11-10-18(26(30)34-16-20-7-4-12-33-20)14-22(24)27(25)15-17-5-3-6-19(13-17)28(31)32/h1-3,5-6,8-11,13-14,20H,4,7,12,15-16H2