N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-3-methyl-4-nitro-benzamide

Systemtic Name: N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-3-methyl-4-nitro-benzamide Openeye Name: N-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-3-methyl-4-nitro-benzamide CAS Name: N-(5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-3-methyl-4-nitrobenzamide IUPAC Name: N-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3-methyl-4-nitrobenzamide Traditional Name: N-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)-3-methyl-4-nitro-benzamide Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C23H19N3O4S/c1-3-25-19-13-16(24-22(27)15-8-10-18(26(29)30)14(2)12-15)9-11-21(19)31-20-7-5-4-6-17(20)23(25)28/h4-13H,3H2,1-2H3,(H,24,27)