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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-p-cumenyl-acryloyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C26H23BrN2O3S MolecularWeight: 523.44142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23BrN2O3S/c1-15(2)18-7-5-17(6-8-18)13-20(14-28)24(30)29-25-23(26(31)32-4)22(16(3)33-25)19-9-11-21(27)12-10-19/h5-13,15H,1-4H3,(H,29,30)/b20-13+