ethyl (2E)-2-(4,5-dihydrobenzo[e][1,3]benzodithiol-2-ylidene)-2-isocyano-ethanoate

Systemtic Name: ethyl (2E)-2-(4,5-dihydrobenzo[e][1,3]benzodithiol-2-ylidene)-2-isocyano-ethanoate Openeye Name: ethyl (2E)-2-(4,5-dihydrobenzo[e][1,3]benzodithiol-2-ylidene)-2-isocyano-acetate CAS Name: (2E)-2-(4,5-dihydrobenzo[e][1,3]benzodithiol-2-ylidene)-2-isocyanoacetic acid ethyl ester IUPAC Name: ethyl (2E)-2-(4,5-dihydrobenzo[e][1,3]benzodithiol-2-ylidene)-2-isocyanoacetate Traditional Name: (2E)-2-(4,5-dihydrobenzo[e][1,3]benzodithiol-2-ylidene)-2-isocyano-acetic acid ethyl ester Formula: C16H13NO2S2 MolecularWeight: 315.40992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1SC2=C(S1)C3=CC=CC=C3CC2)[N+]#[C-]

Isomeric SMILES

CCOC(=O)/C(=C\1/SC2=C(S1)C3=CC=CC=C3CC2)/[N+]#[C-]

InChI

InChI=1S/C16H13NO2S2/c1-3-19-15(18)13(17-2)16-20-12-9-8-10-6-4-5-7-11(10)14(12)21-16/h4-7H,3,8-9H2,1H3/b16-13+