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

Systemtic Name: 4-[1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[1-methyl-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethoxy]benzonitrile CAS Name: 4-[1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 4-[1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[2-keto-1-methyl-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethoxy]benzonitrile Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C(C)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C(C)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20N2O2S/c1-14-11-12-22(18-5-3-4-6-19(18)25-14)20(23)15(2)24-17-9-7-16(13-21)8-10-17/h3-10,14-15H,11-12H2,1-2H3