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

Systemtic Name: methyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2,4-dimethylphenoxy)-1-oxobutyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C24H25NO4S/c1-16-11-12-20(17(2)14-16)29-13-7-10-22(26)25-23-19(24(27)28-3)15-21(30-23)18-8-5-4-6-9-18/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3,(H,25,26)