methyl 6-cyano-3-isocyanato-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-cyano-3-isocyanato-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-cyano-3-isocyanato-benzothiophene-2-carboxylate CAS Name: 6-cyano-3-isocyanato-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-cyano-3-isocyanato-1-benzothiophene-2-carboxylate Traditional Name: 6-cyano-3-isocyanato-benzothiophene-2-carboxylic acid methyl ester Formula: C12H6N2O3S MolecularWeight: 258.25264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)C#N)N=C=O

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)C#N)N=C=O

InChI

InChI=1S/C12H6N2O3S/c1-17-12(16)11-10(14-6-15)8-3-2-7(5-13)4-9(8)18-11/h2-4H,1H3