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

Systemtic Name: methyl 6-tert-butyl-2-[2-(4-phenylphenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-tert-butyl-2-[2-(4-phenylphenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[1-oxo-2-(4-phenylphenoxy)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-2-[2-(4-phenylphenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[2-(4-phenylphenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C29H33NO4S MolecularWeight: 491.64162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OC)OC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OC)OC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H33NO4S/c1-18(34-22-14-11-20(12-15-22)19-9-7-6-8-10-19)26(31)30-27-25(28(32)33-5)23-16-13-21(29(2,3)4)17-24(23)35-27/h6-12,14-15,18,21H,13,16-17H2,1-5H3,(H,30,31)