[2-bromanyl-1-cyano-2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethyl] ethanoate

Systemtic Name: [2-bromanyl-1-cyano-2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethyl] ethanoate Openeye Name: [2-bromo-1-cyano-2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethyl] acetate CAS Name: acetic acid [2-bromo-1-cyano-2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethyl] ester IUPAC Name: [2-bromo-1-cyano-2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethyl] acetate Traditional Name: acetic acid [2-bromo-1-cyano-2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)ethyl] ester Formula: C19H14BrNO3S MolecularWeight: 416.28836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#N)C(C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2)Br

Isomeric SMILES

CC(=O)OC(C#N)C(C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2)Br

InChI

InChI=1S/C19H14BrNO3S/c1-11(22)24-16(9-21)18(20)12-6-7-15-17(8-12)25-10-13-4-2-3-5-14(13)19(15)23/h2-8,16,18H,10H2,1H3