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

Systemtic Name: methyl 6-(2-methylbutan-2-yl)-2-[(4-propan-2-ylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-(1,1-dimethylpropyl)-2-[(4-isopropylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-(2-methylbutan-2-yl)-2-[[oxo-(4-propan-2-ylphenyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-methylbutan-2-yl)-2-[(4-propan-2-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-(cumoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H33NO3S MolecularWeight: 427.59942

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO3S/c1-7-25(4,5)18-12-13-19-20(14-18)30-23(21(19)24(28)29-6)26-22(27)17-10-8-16(9-11-17)15(2)3/h8-11,15,18H,7,12-14H2,1-6H3,(H,26,27)