[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(5-methylpyrazin-2-yl)methanone

Systemtic Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(5-methylpyrazin-2-yl)methanone Openeye Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(5-methylpyrazin-2-yl)methanone CAS Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(5-methyl-2-pyrazinyl)methanone IUPAC Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(5-methylpyrazin-2-yl)methanone Traditional Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(5-methylpyrazin-2-yl)methanone Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CN=C(C=N3)C

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)C3=CN=C(C=N3)C

InChI

InChI=1S/C16H17N3OS/c1-11-9-18-13(10-17-11)16(20)19-8-7-12(2)21-15-6-4-3-5-14(15)19/h3-6,9-10,12H,7-8H2,1-2H3/t12-/m0/s1