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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[[(E)-3-(4-tert-butylphenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[(E)-3-(4-tert-butylphenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-3-(4-tert-butylphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[(E)-3-(4-tert-butylphenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(E)-3-(4-tert-butylphenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C26H23BrN2O3S MolecularWeight: 523.44142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C26H23BrN2O3S/c1-26(2,3)19-9-5-16(6-10-19)13-18(14-28)23(30)29-24-22(25(31)32-4)21(15-33-24)17-7-11-20(27)12-8-17/h5-13,15H,1-4H3,(H,29,30)/b18-13+