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

Systemtic Name: methyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-butoxy-3-ethoxyphenyl)-1-oxopropyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-butoxy-3-ethoxyphenyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C29H41NO5S MolecularWeight: 515.70454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)OCC

InChI

InChI=1S/C29H41NO5S/c1-7-9-16-35-22-14-10-19(17-23(22)34-8-2)11-15-25(31)30-27-26(28(32)33-6)21-13-12-20(29(3,4)5)18-24(21)36-27/h10,14,17,20H,7-9,11-13,15-16,18H2,1-6H3,(H,30,31)