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

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-methylphenoxy)-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-methylphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H24BrNO4S MolecularWeight: 454.37786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCOC2=C(C=C(C=C2)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCOC2=C(C=C(C=C2)C)Br

InChI

InChI=1S/C20H24BrNO4S/c1-5-25-20(24)18-13(3)14(4)27-19(18)22-17(23)7-6-10-26-16-9-8-12(2)11-15(16)21/h8-9,11H,5-7,10H2,1-4H3,(H,22,23)