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

Systemtic Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-quinoxalin-2-yl-methanone Openeye Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-quinoxalin-2-yl-methanone CAS Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(2-quinoxalinyl)methanone IUPAC Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-quinoxalin-2-ylmethanone Traditional Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-quinoxalin-2-yl-methanone Formula: C19H17N3OS MolecularWeight: 335.42278

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C19H17N3OS/c1-13-10-11-22(17-8-4-5-9-18(17)24-13)19(23)16-12-20-14-6-2-3-7-15(14)21-16/h2-9,12-13H,10-11H2,1H3/t13-/m0/s1