(6R,6aS,9S)-6-(2-methoxyphenyl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one

Systemtic Name: (6R,6aS,9S)-6-(2-methoxyphenyl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Openeye Name: (6R,6aS,9S)-6-(2-methoxyphenyl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one CAS Name: (6R,6aS,9S)-6-(2-methoxyphenyl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one IUPAC Name: (6R,6aS,9S)-6-(2-methoxyphenyl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Traditional Name: (6R,6aS,9S)-6-(2-methoxyphenyl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2C(SC3=CC=CC=C3NC2=C1)C4=CC=CC=C4OC

Isomeric SMILES

C[C@H]1CC(=O)[C@H]2[C@@H](SC3=CC=CC=C3NC2=C1)C4=CC=CC=C4OC

InChI

InChI=1S/C21H21NO2S/c1-13-11-16-20(17(23)12-13)21(14-7-3-5-9-18(14)24-2)25-19-10-6-4-8-15(19)22-16/h3-11,13,20-22H,12H2,1-2H3/t13-,20+,21+/m1/s1