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

Systemtic Name: methyl 5-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(2-bromo-4,6-dimethylphenoxy)-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(2-bromo-4,6-dimethylphenoxy)acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C#N)C

InChI

InChI=1S/C18H17BrN2O4S/c1-9-5-10(2)15(13(19)6-9)25-8-14(22)21-17-12(7-20)11(3)16(26-17)18(23)24-4/h5-6H,8H2,1-4H3,(H,21,22)