methyl 5-[2-(4-bromophenyl)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[2-(4-bromophenyl)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[[2-(4-bromophenyl)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(4-bromophenyl)-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(4-bromophenyl)acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(4-bromophenyl)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C16H13BrN2O3S MolecularWeight: 393.25502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CC2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CC2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C16H13BrN2O3S/c1-9-12(8-18)15(23-14(9)16(21)22-2)19-13(20)7-10-3-5-11(17)6-4-10/h3-6H,7H2,1-2H3,(H,19,20)