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

Systemtic Name: ethyl 6-(2-methylbutan-2-yl)-2-(2-phenoxyethanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-(1,1-dimethylpropyl)-2-[(2-phenoxyacetyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-(2-methylbutan-2-yl)-2-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-methylbutan-2-yl)-2-[(2-phenoxyacetyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-[(2-phenoxyacetyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H32N2O4S2 MolecularWeight: 488.66258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O4S2/c1-5-25(3,4)16-12-13-18-19(14-16)33-22(21(18)23(29)30-6-2)27-24(32)26-20(28)15-31-17-10-8-7-9-11-17/h7-11,16H,5-6,12-15H2,1-4H3,(H2,26,27,28,32)