2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-methoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CN2CCCSC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CN2CCCSC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-25-13-7-8-14(16(11-13)21(23)24)19-18(22)12-20-9-4-10-26-17-6-3-2-5-15(17)20/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,19,22)