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

Systemtic Name: 3-chloranyl-4-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-chloro-4-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-chloro-4-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-chloro-4-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethoxy]benzonitrile Traditional Name: 3-chloro-4-[2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethoxy]benzonitrile Formula: C19H17ClN2O2S MolecularWeight: 372.86848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)COC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C19H17ClN2O2S/c1-13-8-9-22(16-4-2-3-5-18(16)25-13)19(23)12-24-17-7-6-14(11-21)10-15(17)20/h2-7,10,13H,8-9,12H2,1H3/t13-/m0/s1