ethyl 4-(4-bromophenyl)-2-[4-(4-ethylphenoxy)butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[4-(4-ethylphenoxy)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[4-(4-ethylphenoxy)butanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[4-(4-ethylphenoxy)-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[4-(4-ethylphenoxy)butanoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[4-(4-ethylphenoxy)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H26BrNO4S MolecularWeight: 516.44724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)OCCCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC

InChI

InChI=1S/C25H26BrNO4S/c1-3-17-7-13-20(14-8-17)31-15-5-6-22(28)27-24-23(25(29)30-4-2)21(16-32-24)18-9-11-19(26)12-10-18/h7-14,16H,3-6,15H2,1-2H3,(H,27,28)