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

Systemtic Name: 4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethoxy]benzonitrile Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O2S/c1-14-10-11-21(17-4-2-3-5-18(17)24-14)19(22)13-23-16-8-6-15(12-20)7-9-16/h2-9,14H,10-11,13H2,1H3