methyl 4-(4-ethoxyphenyl)-5-methyl-2-(4-phenoxybutanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-ethoxyphenyl)-5-methyl-2-(4-phenoxybutanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-ethoxyphenyl)-5-methyl-2-(4-phenoxybutanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-5-methyl-2-[(1-oxo-4-phenoxybutyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-ethoxyphenyl)-5-methyl-2-(4-phenoxybutanoylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-2-(4-phenoxybutanoylamino)-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CCCOC3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CCCOC3=CC=CC=C3)C

InChI

InChI=1S/C25H27NO5S/c1-4-30-20-14-12-18(13-15-20)22-17(2)32-24(23(22)25(28)29-3)26-21(27)11-8-16-31-19-9-6-5-7-10-19/h5-7,9-10,12-15H,4,8,11,16H2,1-3H3,(H,26,27)