methyl 6-tert-butyl-2-[3-(4-tert-butylphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-tert-butyl-2-[3-(4-tert-butylphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-tert-butyl-2-[3-(4-tert-butylphenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[3-(4-tert-butylphenyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-2-[3-(4-tert-butylphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[3-(4-tert-butylphenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H37NO3S MolecularWeight: 455.65258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H37NO3S/c1-26(2,3)18-11-8-17(9-12-18)10-15-22(29)28-24-23(25(30)31-7)20-14-13-19(27(4,5)6)16-21(20)32-24/h8-9,11-12,19H,10,13-16H2,1-7H3,(H,28,29)