1-[(5S)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-N-ethyl-pyrrolidin-3-amine

Systemtic Name: 1-[(5S)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-N-ethyl-pyrrolidin-3-amine Openeye Name: 1-[(5S)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-N-ethyl-pyrrolidin-3-amine CAS Name: 1-[(5S)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-N-ethyl-3-pyrrolidinamine IUPAC Name: 1-[(5S)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-N-ethylpyrrolidin-3-amine Traditional Name: [1-[(5S)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]pyrrolidin-3-yl]-ethyl-amine Formula: C20H24N2S MolecularWeight: 324.48296

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1CCN(C1)C2CC3=CC=CC=C3SC4=CC=CC=C24

Isomeric SMILES

CCNC1CCN(C1)[C@H]2CC3=CC=CC=C3SC4=CC=CC=C24

InChI

InChI=1S/C20H24N2S/c1-2-21-16-11-12-22(14-16)18-13-15-7-3-5-9-19(15)23-20-10-6-4-8-17(18)20/h3-10,16,18,21H,2,11-14H2,1H3/t16?,18-/m0/s1