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

Systemtic Name: ethyl 3-isocyanato-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-isocyanatobenzothiophene-2-carboxylate CAS Name: 3-isocyanato-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-isocyanato-1-benzothiophene-2-carboxylate Traditional Name: 3-isocyanatobenzothiophene-2-carboxylic acid ethyl ester Formula: C12H9NO3S MolecularWeight: 247.26976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2S1)N=C=O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2S1)N=C=O

InChI

InChI=1S/C12H9NO3S/c1-2-16-12(15)11-10(13-7-14)8-5-3-4-6-9(8)17-11/h3-6H,2H2,1H3