3-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl]-1,2,3-benzotriazin-4-one Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H18N4O2S/c1-13-10-11-22(16-8-4-5-9-17(16)26-13)18(24)12-23-19(25)14-6-2-3-7-15(14)20-21-23/h2-9,13H,10-12H2,1H3/t13-/m0/s1