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

Systemtic Name: ethyl 5-[4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[4-(2-bromo-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-(2-bromo-4-isopropyl-phenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCOC2=C(C=C(C=C2)C(C)C)Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCOC2=C(C=C(C=C2)C(C)C)Br)C#N)C

InChI

InChI=1S/C22H25BrN2O4S/c1-5-28-22(27)20-14(4)16(12-24)21(30-20)25-19(26)7-6-10-29-18-9-8-15(13(2)3)11-17(18)23/h8-9,11,13H,5-7,10H2,1-4H3,(H,25,26)