ethyl 4-(3,4-dimethylphenyl)-2-(4-phenoxybutanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-(4-phenoxybutanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-(4-phenoxybutanoylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[(1-oxo-4-phenoxybutyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-(4-phenoxybutanoylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-(4-phenoxybutanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C25H27NO4S/c1-4-29-25(28)23-21(19-13-12-17(2)18(3)15-19)16-31-24(23)26-22(27)11-8-14-30-20-9-6-5-7-10-20/h5-7,9-10,12-13,15-16H,4,8,11,14H2,1-3H3,(H,26,27)