ethyl 2-(methylsulfanylcarbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(methylsulfanylcarbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(methylsulfanylcarbothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(methylthio)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(methylsulfanylcarbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(methylthio)carbothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C13H17NO2S3 MolecularWeight: 315.47458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)SC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)SC

InChI

InChI=1S/C13H17NO2S3/c1-3-16-12(15)10-8-6-4-5-7-9(8)19-11(10)14-13(17)18-2/h3-7H2,1-2H3,(H,14,17)