1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-nitroimidazol-1-yl)ethanone

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-nitroimidazol-1-yl)ethanone Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-nitroimidazol-1-yl)ethanone CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-nitro-1-imidazolyl)ethanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-nitroimidazol-1-yl)ethanone Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-nitroimidazol-1-yl)ethanone Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O3S/c1-11-6-7-18(12-4-2-3-5-13(12)23-11)15(20)9-17-8-14(16-10-17)19(21)22/h2-5,8,10-11H,6-7,9H2,1H3