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

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(2-methylsulfanylpyridin-3-yl)methanone Openeye Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[2-(methylthio)-3-pyridyl]methanone Formula: C17H18N2OS2 MolecularWeight: 330.46762

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C17H18N2OS2/c1-12-9-11-19(14-7-3-4-8-15(14)22-12)17(20)13-6-5-10-18-16(13)21-2/h3-8,10,12H,9,11H2,1-2H3