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

Systemtic Name: methyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-butoxy-3-ethoxyphenyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-butoxy-3-ethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H33NO5S MolecularWeight: 459.59822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OCC

InChI

InChI=1S/C25H33NO5S/c1-4-6-15-31-19-13-11-17(16-20(19)30-5-2)12-14-22(27)26-24-23(25(28)29-3)18-9-7-8-10-21(18)32-24/h11,13,16H,4-10,12,14-15H2,1-3H3,(H,26,27)