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

Systemtic Name: (6-chloranylpyridin-3-yl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: (6-chloro-3-pyridyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: (6-chloro-3-pyridinyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (6-chloropyridin-3-yl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (6-chloro-3-pyridyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C16H15ClN2OS MolecularWeight: 318.8211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2OS/c1-11-8-9-19(13-4-2-3-5-14(13)21-11)16(20)12-6-7-15(17)18-10-12/h2-7,10-11H,8-9H2,1H3