ethyl 2-[(methyldisulfanyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(methyldisulfanyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(methyldisulfanyl)carbonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(methyldisulfanyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(methyldisulfanyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(methyldisulfanyl)carbonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C13H17NO3S3 MolecularWeight: 331.47398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)SSC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)SSC

InChI

InChI=1S/C13H17NO3S3/c1-3-17-12(15)10-8-6-4-5-7-9(8)19-11(10)14-13(16)20-18-2/h3-7H2,1-2H3,(H,14,16)