2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)ethanoate; propan-2-ylazanium

Systemtic Name: 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)ethanoate; propan-2-ylazanium Openeye Name: 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetate; isopropylammonium CAS Name: 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetate; propan-2-ylammonium IUPAC Name: 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetate; propan-2-ylazanium Traditional Name: 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetate; isopropylammonium Formula: C19H23NO2S MolecularWeight: 329.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH3+].C1CC2=C(C=CC(=C2)CC(=O)[O-])SC3=CC=CC=C31

Isomeric SMILES

CC(C)[NH3+].C1CC2=C(C=CC(=C2)CC(=O)[O-])SC3=CC=CC=C31

InChI

InChI=1S/C16H14O2S.C3H9N/c17-16(18)10-11-5-8-15-13(9-11)7-6-12-3-1-2-4-14(12)19-15;1-3(2)4/h1-5,8-9H,6-7,10H2,(H,17,18);3H,4H2,1-2H3