3-methoxy-6-methylsulfanyl-6a,7,8,9,10,10a-hexahydrobenzo[b][1,4]benzothiazepine

Systemtic Name: 3-methoxy-6-methylsulfanyl-6a,7,8,9,10,10a-hexahydrobenzo[b][1,4]benzothiazepine Openeye Name: 3-methoxy-6-methylsulfanyl-6a,7,8,9,10,10a-hexahydrobenzo[b][1,4]benzothiazepine CAS Name: 3-methoxy-6-(methylthio)-6a,7,8,9,10,10a-hexahydrobenzo[b][1,4]benzothiazepine IUPAC Name: 3-methoxy-6-methylsulfanyl-6a,7,8,9,10,10a-hexahydrobenzo[b][1,4]benzothiazepine Traditional Name: 3-methoxy-6-(methylthio)-6a,7,8,9,10,10a-hexahydrobenzo[b][1,4]benzothiazepine Formula: C15H19NOS2 MolecularWeight: 293.44746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC3CCCCC3C(=N2)SC

Isomeric SMILES

COC1=CC2=C(C=C1)SC3CCCCC3C(=N2)SC

InChI

InChI=1S/C15H19NOS2/c1-17-10-7-8-14-12(9-10)16-15(18-2)11-5-3-4-6-13(11)19-14/h7-9,11,13H,3-6H2,1-2H3