methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-1-oxo-3-phenylprop-2-enyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-phenylprop-2-enoyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-phenyl-acryloyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H17BrN2O3S MolecularWeight: 481.36168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C(=CC2=CC=CC=C2)C#N)C(=O)OC)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)/C(=C/C2=CC=CC=C2)/C#N)C(=O)OC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H17BrN2O3S/c1-14-19(16-8-10-18(24)11-9-16)20(23(28)29-2)22(30-14)26-21(27)17(13-25)12-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,26,27)/b17-12+