ethyl 2-isocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-isocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-isocyanato-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-isocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-isocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-isocyanato-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)N=C=O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N=C=O

InChI

InChI=1S/C12H13NO3S/c1-2-16-12(15)10-8-5-3-4-6-9(8)17-11(10)13-7-14/h2-6H2,1H3