(E)-3-[4-chloranyl-2-(dimethylamino)-1,3-thiazol-5-yl]-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-[4-chloranyl-2-(dimethylamino)-1,3-thiazol-5-yl]-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-[4-chloro-2-(dimethylamino)thiazol-5-yl]-2-cyano-prop-2-enoic acid CAS Name: (E)-3-[4-chloro-2-(dimethylamino)-5-thiazolyl]-2-cyano-2-propenoic acid IUPAC Name: (E)-3-[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-[4-chloro-2-(dimethylamino)thiazol-5-yl]-2-cyano-acrylic acid Formula: C9H8ClN3O2S MolecularWeight: 257.69672

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=C(S1)C=C(C#N)C(=O)O)Cl

Isomeric SMILES

CN(C)C1=NC(=C(S1)/C=C(\C#N)/C(=O)O)Cl

InChI

InChI=1S/C9H8ClN3O2S/c1-13(2)9-12-7(10)6(16-9)3-5(4-11)8(14)15/h3H,1-2H3,(H,14,15)/b5-3+