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

Systemtic Name: ethyl (6S)-2-(3-methylbutanoylcarbamothioylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-6-(1,1-dimethylpropyl)-2-(3-methylbutanoylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-(2-methylbutan-2-yl)-2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-2-(3-methylbutanoylcarbamothioylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-tert-amyl-2-(isovalerylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H34N2O3S2 MolecularWeight: 438.64696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O3S2/c1-7-22(5,6)14-9-10-15-16(12-14)29-19(18(15)20(26)27-8-2)24-21(28)23-17(25)11-13(3)4/h13-14H,7-12H2,1-6H3,(H2,23,24,25,28)/t14-/m0/s1