dimethyl 2-[[2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]amino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]amino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[4-(3-bromophenyl)thiazol-2-yl]-2-cyano-vinyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[4-(3-bromophenyl)-2-thiazolyl]-2-cyanoethenyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[4-(3-bromophenyl)thiazol-2-yl]-2-cyano-vinyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H16BrN3O4S MolecularWeight: 498.34914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrN3O4S/c1-29-21(27)14-6-7-17(22(28)30-2)18(9-14)25-11-15(10-24)20-26-19(12-31-20)13-4-3-5-16(23)8-13/h3-9,11-12,25H,1-2H3