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

Systemtic Name: methyl 6-tert-butyl-2-[4-(4-tert-butylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-tert-butyl-2-[4-(4-tert-butylphenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-2-[4-(4-tert-butylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[4-(4-tert-butylphenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C28H39NO4S MolecularWeight: 485.67856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCOC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCOC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H39NO4S/c1-27(2,3)18-10-13-20(14-11-18)33-16-8-9-23(30)29-25-24(26(31)32-7)21-15-12-19(28(4,5)6)17-22(21)34-25/h10-11,13-14,19H,8-9,12,15-17H2,1-7H3,(H,29,30)