methyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-isothiocyanato-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C11H11NO2S2 MolecularWeight: 253.34054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)N=C=S

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)N=C=S

InChI

InChI=1S/C11H11NO2S2/c1-14-11(13)9-7-4-2-3-5-8(7)16-10(9)12-6-15/h2-5H2,1H3