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

Systemtic Name: 4-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzonitrile CAS Name: 4-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-oxomethyl]benzonitrile IUPAC Name: 4-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzonitrile Traditional Name: 4-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzonitrile Formula: C18H16N2OS MolecularWeight: 308.39744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H16N2OS/c1-13-10-11-20(16-4-2-3-5-17(16)22-13)18(21)15-8-6-14(12-19)7-9-15/h2-9,13H,10-11H2,1H3/t13-/m0/s1