ethyl 2-[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-chloranyl-3-methyl-phenoxy)butanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(4-chloro-3-methylphenoxy)-1-oxobutyl]amino]-4-(3,4-dimethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chloro-3-methylphenoxy)butanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(4-chloro-3-methyl-phenoxy)butanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H28ClNO4S MolecularWeight: 486.02282

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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(=C(C=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClNO4S/c1-5-31-26(30)24-21(19-9-8-16(2)17(3)13-19)15-33-25(24)28-23(29)7-6-12-32-20-10-11-22(27)18(4)14-20/h8-11,13-15H,5-7,12H2,1-4H3,(H,28,29)