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

Systemtic Name: ethyl (6R)-6-(2-methylbutan-2-yl)-2-(naphthalen-1-ylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-6-(1,1-dimethylpropyl)-2-(naphthalene-1-carbonylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-(2-methylbutan-2-yl)-2-[[[[1-naphthalenyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-(2-methylbutan-2-yl)-2-(naphthalene-1-carbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-tert-amyl-2-(1-naphthoylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H32N2O3S2 MolecularWeight: 508.69528

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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=CC4=CC=CC=C43

Isomeric SMILES

CCC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H32N2O3S2/c1-5-28(3,4)18-14-15-21-22(16-18)35-25(23(21)26(32)33-6-2)30-27(34)29-24(31)20-13-9-11-17-10-7-8-12-19(17)20/h7-13,18H,5-6,14-16H2,1-4H3,(H2,29,30,31,34)/t18-/m1/s1