3-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]bicyclo[3.3.1]nonan-9-one

Systemtic Name: 3-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]bicyclo[3.3.1]nonan-9-one Openeye Name: 3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)bicyclo[3.3.1]nonan-9-one CAS Name: 3-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]-9-bicyclo[3.3.1]nonanone IUPAC Name: 3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)bicyclo[3.3.1]nonan-9-one Traditional Name: 3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)bicyclo[3.3.1]nonan-9-one Formula: C20H25NO2S MolecularWeight: 343.483

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3CC4CCCC(C3)C4=O

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3CC4CCCC(C3)C4=O

InChI

InChI=1S/C20H25NO2S/c1-13-9-10-21(17-7-2-3-8-18(17)24-13)20(23)16-11-14-5-4-6-15(12-16)19(14)22/h2-3,7-8,13-16H,4-6,9-12H2,1H3