ethyl 4-(4-ethoxyphenyl)-2-(4-phenoxybutanoylamino)thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCCOC3=CC=CC=C3

InChI

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