ethyl 5-cyano-3-isocyanato-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-cyano-3-isocyanato-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-cyano-3-isocyanato-benzothiophene-2-carboxylate CAS Name: 5-cyano-3-isocyanato-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-3-isocyanato-1-benzothiophene-2-carboxylate Traditional Name: 5-cyano-3-isocyanato-benzothiophene-2-carboxylic acid ethyl ester Formula: C13H8N2O3S MolecularWeight: 272.27922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=CC(=C2)C#N)N=C=O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=CC(=C2)C#N)N=C=O

InChI

InChI=1S/C13H8N2O3S/c1-2-18-13(17)12-11(15-7-16)9-5-8(6-14)3-4-10(9)19-12/h3-5H,2H2,1H3