ethyl (6S)-6-(2-methylbutan-2-yl)-2-(thiophen-2-ylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6S)-6-(2-methylbutan-2-yl)-2-(thiophen-2-ylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-6-(1,1-dimethylpropyl)-2-(thiophene-2-carbonylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-(2-methylbutan-2-yl)-2-[[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-(2-methylbutan-2-yl)-2-(thiophene-2-carbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-tert-amyl-2-(2-thenoylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H28N2O3S3 MolecularWeight: 464.66432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

CCC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H28N2O3S3/c1-5-22(3,4)13-9-10-14-16(12-13)30-19(17(14)20(26)27-6-2)24-21(28)23-18(25)15-8-7-11-29-15/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H2,23,24,25,28)/t13-/m0/s1