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

Systemtic Name: methyl 2-[(4-ethoxyphenyl)carbonylamino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-(1,1-dimethylpropyl)-2-[(4-ethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-ethoxyphenyl)-oxomethyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-ethoxybenzoyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-[(4-ethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4S/c1-6-24(3,4)16-10-13-18-19(14-16)30-22(20(18)23(27)28-5)25-21(26)15-8-11-17(12-9-15)29-7-2/h8-9,11-12,16H,6-7,10,13-14H2,1-5H3,(H,25,26)