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

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]-4-(4-ethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H29BrClNO5S MolecularWeight: 594.94486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29BrClNO5S/c1-5-33-19-11-9-18(10-12-19)20-15-36-26(23(20)27(32)34-6-2)30-22(31)8-7-13-35-21-14-16(3)25(29)17(4)24(21)28/h9-12,14-15H,5-8,13H2,1-4H3,(H,30,31)