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

Systemtic Name: methyl 6-tert-butyl-2-[4-(2,5-dimethylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-tert-butyl-2-[4-(2,5-dimethylphenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[4-(2,5-dimethylphenoxy)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-2-[4-(2,5-dimethylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[4-(2,5-dimethylphenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C26H35NO4S MolecularWeight: 457.6254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO4S/c1-16-9-10-17(2)20(14-16)31-13-7-8-22(28)27-24-23(25(29)30-6)19-12-11-18(26(3,4)5)15-21(19)32-24/h9-10,14,18H,7-8,11-13,15H2,1-6H3,(H,27,28)