ethyl 2-[4-(2,5-dimethylphenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2,5-dimethylphenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2,5-dimethylphenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2,5-dimethylphenoxy)-1-oxobutyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2,5-dimethylphenoxy)butanoylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(2,5-dimethylphenoxy)butanoylamino]-5-methyl-4-phenyl-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=CC=C2)C)NC(=O)CCCOC3=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

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