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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCCOC3=CC(=C(C(=C3)C)Cl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCCOC3=CC(=C(C(=C3)C)Cl)C

InChI

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