methyl 3-ethoxy-5-[3-(4-methoxyphenyl)propanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-ethoxy-5-[3-(4-methoxyphenyl)propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-ethoxy-5-[3-(4-methoxyphenyl)propanoylamino]benzothiophene-2-carboxylate CAS Name: 3-ethoxy-5-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-ethoxy-5-[3-(4-methoxyphenyl)propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-ethoxy-5-[3-(4-methoxyphenyl)propanoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC2=C1C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CCOC1=C(SC2=C1C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C22H23NO5S/c1-4-28-20-17-13-15(8-11-18(17)29-21(20)22(25)27-3)23-19(24)12-7-14-5-9-16(26-2)10-6-14/h5-6,8-11,13H,4,7,12H2,1-3H3,(H,23,24)