(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(6-methylpyridin-3-yl)methanone

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(6-methylpyridin-3-yl)methanone Openeye Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(6-methyl-3-pyridyl)methanone CAS Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(6-methyl-3-pyridinyl)methanone IUPAC Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(6-methylpyridin-3-yl)methanone Traditional Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(6-methyl-3-pyridyl)methanone Formula: C17H18N2OS MolecularWeight: 298.40262

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CN=C(C=C3)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CN=C(C=C3)C

InChI

InChI=1S/C17H18N2OS/c1-12-7-8-14(11-18-12)17(20)19-10-9-13(2)21-16-6-4-3-5-15(16)19/h3-8,11,13H,9-10H2,1-2H3