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

Systemtic Name: ethyl 2-[4-(2,3-dimethylphenoxy)butanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2,3-dimethylphenoxy)butanoylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2,3-dimethylphenoxy)-1-oxobutyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2,3-dimethylphenoxy)butanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2,3-dimethylphenoxy)butanoylamino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H29NO4S MolecularWeight: 451.57776

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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(=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CCCOC3=CC=CC(=C3C)C

InChI

InChI=1S/C26H29NO4S/c1-5-30-26(29)24-21(20-13-11-17(2)12-14-20)16-32-25(24)27-23(28)10-7-15-31-22-9-6-8-18(3)19(22)4/h6,8-9,11-14,16H,5,7,10,15H2,1-4H3,(H,27,28)