methyl 2-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[4-(4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C27H30ClNO5S MolecularWeight: 516.0488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CCCOC3=CC(=C(C(=C3)C)Cl)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CCCOC3=CC(=C(C(=C3)C)Cl)C)C

InChI

InChI=1S/C27H30ClNO5S/c1-6-33-20-11-9-19(10-12-20)23-18(4)35-26(24(23)27(31)32-5)29-22(30)8-7-13-34-21-14-16(2)25(28)17(3)15-21/h9-12,14-15H,6-8,13H2,1-5H3,(H,29,30)