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

Systemtic Name: methyl 3-isocyanato-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-isocyanatobenzothiophene-2-carboxylate CAS Name: 3-isocyanato-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-isocyanato-1-benzothiophene-2-carboxylate Traditional Name: 3-isocyanatobenzothiophene-2-carboxylic acid methyl ester Formula: C11H7NO3S MolecularWeight: 233.24318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7NO3S/c1-15-11(14)10-9(12-6-13)7-4-2-3-5-8(7)16-10/h2-5H,1H3