3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-methyl-4-nitro-phenyl)methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-methyl-4-nitro-phenyl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-methyl-4-nitro-phenyl)methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-methyl-4-nitrophenyl)methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-methyl-4-nitrophenyl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-methyl-4-nitro-phenyl)methanone Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCSC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCSC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O3S/c1-12-11-13(7-8-14(12)19(21)22)17(20)18-9-4-10-23-16-6-3-2-5-15(16)18/h2-3,5-8,11H,4,9-10H2,1H3