methyl 2-[[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]amino]benzoate

Systemtic Name: methyl 2-[[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]amino]benzoate Openeye Name: methyl 2-[[2-[4-(4-bromophenyl)thiazol-2-yl]-2-cyano-vinyl]amino]benzoate CAS Name: 2-[[2-[4-(4-bromophenyl)-2-thiazolyl]-2-cyanoethenyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzoate Traditional Name: 2-[[2-[4-(4-bromophenyl)thiazol-2-yl]-2-cyano-vinyl]amino]benzoic acid methyl ester Formula: C20H14BrN3O2S MolecularWeight: 440.31306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H14BrN3O2S/c1-26-20(25)16-4-2-3-5-17(16)23-11-14(10-22)19-24-18(12-27-19)13-6-8-15(21)9-7-13/h2-9,11-12,23H,1H3