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

Systemtic Name: (6R,6aS,9S)-9-methyl-6-phenyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Openeye Name: (6R,6aS,9S)-9-methyl-6-phenyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one CAS Name: (6R,6aS,9S)-9-methyl-6-phenyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one IUPAC Name: (6R,6aS,9S)-9-methyl-6-phenyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Traditional Name: (6R,6aS,9S)-9-methyl-6-phenyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Formula: C20H19NOS MolecularWeight: 321.43596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NOS/c1-13-11-16-19(17(22)12-13)20(14-7-3-2-4-8-14)23-18-10-6-5-9-15(18)21-16/h2-11,13,19-21H,12H2,1H3/t13-,19+,20+/m1/s1