ethyl 5-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC2=C(C=C(C=C2C)Br)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC2=C(C=C(C=C2C)Br)C)C#N)C

InChI

InChI=1S/C19H19BrN2O4S/c1-5-25-19(24)17-12(4)14(8-21)18(27-17)22-15(23)9-26-16-10(2)6-13(20)7-11(16)3/h6-7H,5,9H2,1-4H3,(H,22,23)