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

Systemtic Name: ethyl 5-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(2-bromo-4-phenyl-phenoxy)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(2-bromo-4-phenylphenoxy)-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(2-bromo-4-phenyl-phenoxy)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H19BrN2O4S MolecularWeight: 499.37696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC2=C(C=C(C=C2)C3=CC=CC=C3)Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC2=C(C=C(C=C2)C3=CC=CC=C3)Br)C#N)C

InChI

InChI=1S/C23H19BrN2O4S/c1-3-29-23(28)21-14(2)17(12-25)22(31-21)26-20(27)13-30-19-10-9-16(11-18(19)24)15-7-5-4-6-8-15/h4-11H,3,13H2,1-2H3,(H,26,27)