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

Systemtic Name: 2-(3-chloranylpyridin-2-yl)sulfanyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-[(3-chloro-2-pyridyl)sulfanyl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-[(3-chloro-2-pyridinyl)thio]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-(3-chloropyridin-2-yl)sulfanyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-[(3-chloro-2-pyridyl)thio]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C17H17ClN2OS2 MolecularWeight: 364.91268

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=C(C=CC=N3)Cl

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=C(C=CC=N3)Cl

InChI

InChI=1S/C17H17ClN2OS2/c1-12-8-10-20(14-6-2-3-7-15(14)23-12)16(21)11-22-17-13(18)5-4-9-19-17/h2-7,9,12H,8,10-11H2,1H3