1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H18N2O2S2/c1-13-9-11-18(14-6-2-3-7-15(14)23-13)16(20)12-22-17-8-4-5-10-19(17)21/h2-8,10,13H,9,11-12H2,1H3