(6R,6aS,9S)-6-(4-fluorophenyl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one

Systemtic Name: (6R,6aS,9S)-6-(4-fluorophenyl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Openeye Name: (6R,6aS,9S)-6-(4-fluorophenyl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one CAS Name: (6R,6aS,9S)-6-(4-fluorophenyl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one IUPAC Name: (6R,6aS,9S)-6-(4-fluorophenyl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Traditional Name: (6R,6aS,9S)-6-(4-fluorophenyl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Formula: C20H18FNOS MolecularWeight: 339.426423

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2C(SC3=CC=CC=C3NC2=C1)C4=CC=C(C=C4)F

Isomeric SMILES

C[C@H]1CC(=O)[C@H]2[C@@H](SC3=CC=CC=C3NC2=C1)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H18FNOS/c1-12-10-16-19(17(23)11-12)20(13-6-8-14(21)9-7-13)24-18-5-3-2-4-15(18)22-16/h2-10,12,19-20,22H,11H2,1H3/t12-,19+,20+/m1/s1