3a,4,6,6a,10a,10b-hexahydro-1H-cyclopenta[d][2]benzothiepine

Systemtic Name: 3a,4,6,6a,10a,10b-hexahydro-1H-cyclopenta[d][2]benzothiepine Openeye Name: 3a,4,6,6a,10a,10b-hexahydro-1H-cyclopenta[d][2]benzothiepine CAS Name: 3a,4,6,6a,10a,10b-hexahydro-1H-cyclopenta[d][2]benzothiepin IUPAC Name: 3a,4,6,6a,10a,10b-hexahydro-1H-cyclopenta[d][2]benzothiepine Traditional Name: 3a,4,6,6a,10a,10b-hexahydro-1H-cyclopenta[d][2]benzothiepin Formula: C13H16S MolecularWeight: 204.33114

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2C1C3C=CC=CC3CSC2

Isomeric SMILES

C1C=CC2C1C3C=CC=CC3CSC2

InChI

InChI=1S/C13H16S/c1-2-6-12-10(4-1)8-14-9-11-5-3-7-13(11)12/h1-6,10-13H,7-9H2