1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanone

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanone Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CCCSC4=CC=CC=C43

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CCCSC4=CC=CC=C43

InChI

InChI=1S/C22H22N2O2S/c1-16(25)23-13-11-17-7-2-3-8-18(17)20(23)15-22(26)24-12-6-14-27-21-10-5-4-9-19(21)24/h2-5,7-11,13,20H,6,12,14-15H2,1H3