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

Systemtic Name: 6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: 5-benzyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxylate IUPAC Name: 5-benzyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 5-benzyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylate Formula: C21H14NO3S- MolecularWeight: 360.40576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)[O-])SC4=CC=CC=C4C2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)[O-])SC4=CC=CC=C4C2=O

InChI

InChI=1S/C21H15NO3S/c23-20-16-8-4-5-9-18(16)26-19-11-10-15(21(24)25)12-17(19)22(20)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,25)/p-1