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

Systemtic Name: ethyl 6-(2-methylbutan-2-yl)-2-(thiophen-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-(1,1-dimethylpropyl)-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-(2-methylbutan-2-yl)-2-[[oxo(thiophen-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-methylbutan-2-yl)-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-(2-thenoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H27NO3S2 MolecularWeight: 405.57398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3S2/c1-5-21(3,4)13-9-10-14-16(12-13)27-19(17(14)20(24)25-6-2)22-18(23)15-8-7-11-26-15/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,22,23)