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

Systemtic Name: ethyl 2-[4-(2,3-dimethylphenoxy)butanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2,3-dimethylphenoxy)butanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2,3-dimethylphenoxy)-1-oxobutyl]amino]-4-(3,4-dimethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2,3-dimethylphenoxy)butanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2,3-dimethylphenoxy)butanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO4S/c1-6-31-27(30)25-22(21-13-12-17(2)19(4)15-21)16-33-26(25)28-24(29)11-8-14-32-23-10-7-9-18(3)20(23)5/h7,9-10,12-13,15-16H,6,8,11,14H2,1-5H3,(H,28,29)