(6S,6aR,9R)-6-(4-methylphenyl)-9-phenyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one

Systemtic Name: (6S,6aR,9R)-6-(4-methylphenyl)-9-phenyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Openeye Name: (6S,6aR,9R)-9-phenyl-6-(p-tolyl)-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one CAS Name: (6S,6aR,9R)-6-(4-methylphenyl)-9-phenyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one IUPAC Name: (6S,6aR,9R)-6-(4-methylphenyl)-9-phenyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Traditional Name: (6S,6aR,9R)-9-phenyl-6-(p-tolyl)-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Formula: C26H23NOS MolecularWeight: 397.53192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC4=CC=CC=C4S2)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@H]3C(=O)C[C@H](C=C3NC4=CC=CC=C4S2)C5=CC=CC=C5

InChI

InChI=1S/C26H23NOS/c1-17-11-13-19(14-12-17)26-25-22(27-21-9-5-6-10-24(21)29-26)15-20(16-23(25)28)18-7-3-2-4-8-18/h2-15,20,25-27H,16H2,1H3/t20-,25+,26+/m0/s1