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

Systemtic Name: methyl 6-tert-butyl-2-[2-(2-tert-butyl-4-methyl-phenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-tert-butyl-2-[[2-(2-tert-butyl-4-methyl-phenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[2-(2-tert-butyl-4-methylphenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[[2-(2-tert-butyl-4-methyl-phenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H37NO4S MolecularWeight: 471.65198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)C(C)(C)C

InChI

InChI=1S/C27H37NO4S/c1-16-9-12-20(19(13-16)27(5,6)7)32-15-22(29)28-24-23(25(30)31-8)18-11-10-17(26(2,3)4)14-21(18)33-24/h9,12-13,17H,10-11,14-15H2,1-8H3,(H,28,29)