[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [2-(3-bromophenyl)thiazol-4-yl]methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [2-(3-bromophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [2-(3-bromophenyl)thiazol-4-yl]methyl ester Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=CSC(=N2)C3=CC(=CC=C3)Br

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=CSC(=N2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H18BrN3O2S/c1-26(2)20-8-6-15(7-9-20)10-17(12-24)22(27)28-13-19-14-29-21(25-19)16-4-3-5-18(23)11-16/h3-11,14H,13H2,1-2H3/b17-10+