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

Systemtic Name: (E)-2-cyano-3-[2-(diethylamino)-1,3-thiazol-5-yl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[2-(diethylamino)thiazol-5-yl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-[2-(diethylamino)-5-thiazolyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[2-(diethylamino)-1,3-thiazol-5-yl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[2-(diethylamino)thiazol-5-yl]acrylic acid Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=C(S1)C=C(C#N)C(=O)O

Isomeric SMILES

CCN(CC)C1=NC=C(S1)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C11H13N3O2S/c1-3-14(4-2)11-13-7-9(17-11)5-8(6-12)10(15)16/h5,7H,3-4H2,1-2H3,(H,15,16)/b8-5+