ethyl 6-(2-methylbutan-2-yl)-2-[(4-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-(2-methylbutan-2-yl)-2-[(4-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-(1,1-dimethylpropyl)-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-(2-methylbutan-2-yl)-2-[[(4-methylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylbenzoyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-(p-toluoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H31NO3S MolecularWeight: 413.57284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO3S/c1-6-24(4,5)17-12-13-18-19(14-17)29-22(20(18)23(27)28-7-2)25-21(26)16-10-8-15(3)9-11-16/h8-11,17H,6-7,12-14H2,1-5H3,(H,25,26)