methyl (11Z)-11-(cyanomethylidene)-6H-benzo[c][1]benzothiepine-3-carboxylate

Systemtic Name: methyl (11Z)-11-(cyanomethylidene)-6H-benzo[c][1]benzothiepine-3-carboxylate Openeye Name: methyl (11Z)-11-(cyanomethylene)-6H-benzo[c][1]benzothiepine-3-carboxylate CAS Name: (11Z)-11-(cyanomethylidene)-6H-benzo[c][1]benzothiepin-3-carboxylic acid methyl ester IUPAC Name: methyl (11Z)-11-(cyanomethylidene)-6H-benzo[c][1]benzothiepine-3-carboxylate Traditional Name: (11Z)-11-(cyanomethylene)-6H-benzo[c][1]benzothiepin-3-carboxylic acid methyl ester Formula: C18H13NO2S MolecularWeight: 307.36632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13NO2S/c1-21-18(20)12-6-7-16-15(8-9-19)14-5-3-2-4-13(14)11-22-17(16)10-12/h2-8,10H,11H2,1H3/b15-8-