ethyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-ethylphenoxy)butanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-5-phenyl-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=C(S2)C3=CC=CC=C3)C(=O)OCC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC)Br

InChI

InChI=1S/C25H26BrNO4S/c1-3-17-12-13-21(20(26)15-17)31-14-8-11-23(28)27-24-19(25(29)30-4-2)16-22(32-24)18-9-6-5-7-10-18/h5-7,9-10,12-13,15-16H,3-4,8,11,14H2,1-2H3,(H,27,28)