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

Systemtic Name: cyanomethyl (E)-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate Openeye Name: cyanomethyl (E)-3-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-3-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-3-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)acrylic acid cyanomethyl ester Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CS2)C)C=CC(=O)OCC#N

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)/C=C/C(=O)OCC#N

InChI

InChI=1S/C14H13N3O2S/c1-10-9-12(3-4-13(18)19-7-5-15)11(2)17(10)14-16-6-8-20-14/h3-4,6,8-9H,7H2,1-2H3/b4-3+