4-(3-methoxy-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepin-1-yl)-1-methyl-piperidine

Systemtic Name: 4-(3-methoxy-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepin-1-yl)-1-methyl-piperidine Openeye Name: 4-(3-methoxy-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepin-1-yl)-1-methyl-piperidine CAS Name: 4-(3-methoxy-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepin-1-yl)-1-methylpiperidine IUPAC Name: 4-(3-methoxy-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepin-1-yl)-1-methylpiperidine Traditional Name: 4-(3-methoxy-2,10a-dihydro-1H-benzo[c][1,5]benzoxathiepin-1-yl)-1-methyl-piperidine Formula: C20H25NO2S MolecularWeight: 343.483

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2CC(=CC3=C2SC4C=CC=CC4=CO3)OC

Isomeric SMILES

CN1CCC(CC1)C2CC(=CC3=C2SC4C=CC=CC4=CO3)OC

InChI

InChI=1S/C20H25NO2S/c1-21-9-7-14(8-10-21)17-11-16(22-2)12-18-20(17)24-19-6-4-3-5-15(19)13-23-18/h3-6,12-14,17,19H,7-11H2,1-2H3