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

Systemtic Name: ethyl 6-tert-butyl-2-[4-(3-methyl-4-propan-2-yl-phenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C29H41NO4S MolecularWeight: 499.70514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)CCCOC3=CC(=C(C=C3)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)CCCOC3=CC(=C(C=C3)C(C)C)C

InChI

InChI=1S/C29H41NO4S/c1-8-33-28(32)26-23-13-11-20(29(5,6)7)17-24(23)35-27(26)30-25(31)10-9-15-34-21-12-14-22(18(2)3)19(4)16-21/h12,14,16,18,20H,8-11,13,15,17H2,1-7H3,(H,30,31)