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

Systemtic Name: methyl 2-[3-(3,4-diethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(3,4-diethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(3,4-diethoxyphenyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(3,4-diethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(3,4-diethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OCC

InChI

InChI=1S/C23H29NO5S/c1-4-28-17-12-10-15(14-18(17)29-5-2)11-13-20(25)24-22-21(23(26)27-3)16-8-6-7-9-19(16)30-22/h10,12,14H,4-9,11,13H2,1-3H3,(H,24,25)