(E)-3-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-[2-(3-bromophenyl)thiazol-4-yl]-2-cyano-prop-2-enoic acid CAS Name: (E)-3-[2-(3-bromophenyl)-4-thiazolyl]-2-cyano-2-propenoic acid IUPAC Name: (E)-3-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-[2-(3-bromophenyl)thiazol-4-yl]-2-cyano-acrylic acid Formula: C13H7BrN2O2S MolecularWeight: 335.17588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NC(=CS2)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C13H7BrN2O2S/c14-10-3-1-2-8(4-10)12-16-11(7-19-12)5-9(6-15)13(17)18/h1-5,7H,(H,17,18)/b9-5+