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

Systemtic Name: methyl 6-tert-butyl-2-[4-(3-methyl-4-propan-2-yl-phenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-tert-butyl-2-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[4-(3-methyl-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-2-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[4-(4-isopropyl-3-methyl-phenoxy)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:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39NO4S/c1-17(2)21-13-11-20(15-18(21)3)33-14-8-9-24(30)29-26-25(27(31)32-7)22-12-10-19(28(4,5)6)16-23(22)34-26/h11,13,15,17,19H,8-10,12,14,16H2,1-7H3,(H,29,30)