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

Systemtic Name: 1-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]cinnolin-4-one Openeye Name: 1-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl]cinnolin-4-one CAS Name: 1-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]-4-cinnolinone IUPAC Name: 1-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]cinnolin-4-one Traditional Name: 1-[2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl]cinnolin-4-one Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C20H19N3O2S/c1-14-10-11-22(17-8-4-5-9-19(17)26-14)20(25)13-23-16-7-3-2-6-15(16)18(24)12-21-23/h2-9,12,14H,10-11,13H2,1H3/t14-/m0/s1