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

Systemtic Name: ethyl 2-isothiocyanato-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-isothiocyanato-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-isothiocyanato-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-isothiocyanato-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-isothiocyanato-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C13H15NO2S2 MolecularWeight: 281.3937

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)N=C=S

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(CCC2)C)N=C=S

InChI

InChI=1S/C13H15NO2S2/c1-3-16-13(15)11-10-8(2)5-4-6-9(10)18-12(11)14-7-17/h8H,3-6H2,1-2H3