ethyl 2-[4-(3-methylphenoxy)butanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(3-methylphenoxy)butanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(3-methylphenoxy)butanoylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[4-(3-methylphenoxy)-1-oxobutyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-methylphenoxy)butanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(3-methylphenoxy)butanoylamino]-4-(p-tolyl)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)NC(=O)CCCOC3=CC=CC(=C3)C

Isomeric SMILES

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

InChI

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