methyl (6R)-2-(cyclohexylcarbamoylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6R)-2-(cyclohexylcarbamoylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-2-(cyclohexylcarbamoylamino)-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[(cyclohexylamino)-oxomethyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-2-(cyclohexylcarbamoylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-tert-amyl-2-(cyclohexylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H34N2O3S MolecularWeight: 406.58196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)NC3CCCCC3

Isomeric SMILES

CCC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)NC3CCCCC3

InChI

InChI=1S/C22H34N2O3S/c1-5-22(2,3)14-11-12-16-17(13-14)28-19(18(16)20(25)27-4)24-21(26)23-15-9-7-6-8-10-15/h14-15H,5-13H2,1-4H3,(H2,23,24,26)/t14-/m1/s1