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

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

Isomeric SMILES

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

InChI

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