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

Systemtic Name: methyl 2-[4-(2,5-dimethylphenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[4-(2,5-dimethylphenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2,5-dimethylphenoxy)-1-oxobutyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2,5-dimethylphenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2,5-dimethylphenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCCOC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CCCOC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C26H29NO4S/c1-5-19-10-12-20(13-11-19)21-16-32-25(24(21)26(29)30-4)27-23(28)7-6-14-31-22-15-17(2)8-9-18(22)3/h8-13,15-16H,5-7,14H2,1-4H3,(H,27,28)