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

Systemtic Name: [(E)-1-cyano-2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethenyl] ethanoate Openeye Name: [(E)-1-cyano-2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)vinyl] acetate CAS Name: acetic acid [(E)-1-cyano-2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethenyl] ester IUPAC Name: [(E)-1-cyano-2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)ethenyl] acetate Traditional Name: acetic acid [(E)-1-cyano-2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)vinyl] ester Formula: C19H13NO3S MolecularWeight: 335.37642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(=CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H13NO3S/c1-12(21)23-15(10-20)8-13-6-7-17-18(9-13)24-11-14-4-2-3-5-16(14)19(17)22/h2-9H,11H2,1H3/b15-8+