(E)-2-cyano-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate Openeye Name: (E)-2-cyano-3-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-propenoate IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)acrylate Formula: C13H10N3O2S- MolecularWeight: 272.3024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CS2)C)C=C(C#N)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)/C=C(\C#N)/C(=O)[O-]

InChI

InChI=1S/C13H11N3O2S/c1-8-5-10(6-11(7-14)12(17)18)9(2)16(8)13-15-3-4-19-13/h3-6H,1-2H3,(H,17,18)/p-1/b11-6+