3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(2-methylsulfanylpyridin-3-yl)methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(2-methylsulfanylpyridin-3-yl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[2-(methylthio)-3-pyridyl]methanone Formula: C16H16N2OS2 MolecularWeight: 316.44104

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CCCSC3=CC=CC=C32

InChI

InChI=1S/C16H16N2OS2/c1-20-15-12(6-4-9-17-15)16(19)18-10-5-11-21-14-8-3-2-7-13(14)18/h2-4,6-9H,5,10-11H2,1H3