(E)-3-(1,3-dimethyl-5-thiomorpholin-4-yl-pyrazol-4-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(1,3-dimethyl-5-thiomorpholin-4-yl-pyrazol-4-yl)prop-2-enoic acid Openeye Name: (E)-3-(1,3-dimethyl-5-thiomorpholino-pyrazol-4-yl)prop-2-enoic acid CAS Name: (E)-3-(1,3-dimethyl-5-thiomorpholin-4-yl-4-pyrazolyl)-2-propenoic acid IUPAC Name: (E)-3-(1,3-dimethyl-5-thiomorpholin-4-ylpyrazol-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(1,3-dimethyl-5-thiomorpholino-pyrazol-4-yl)acrylic acid Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)O)N2CCSCC2)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)O)N2CCSCC2)C

InChI

InChI=1S/C12H17N3O2S/c1-9-10(3-4-11(16)17)12(14(2)13-9)15-5-7-18-8-6-15/h3-4H,5-8H2,1-2H3,(H,16,17)/b4-3+