2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethanoate; propan-2-ylazanium

Systemtic Name: 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethanoate; propan-2-ylazanium Openeye Name: isopropylammonium; 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetate CAS Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetate; propan-2-ylammonium IUPAC Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetate; propan-2-ylazanium Traditional Name: isopropylammonium; 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)acetate Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH3+].C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)CC(=O)[O-]

Isomeric SMILES

CC(C)[NH3+].C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)CC(=O)[O-]

InChI

InChI=1S/C16H12O3S.C3H9N/c17-15(18)8-10-5-6-13-14(7-10)20-9-11-3-1-2-4-12(11)16(13)19;1-3(2)4/h1-7H,8-9H2,(H,17,18);3H,4H2,1-2H3