2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(E)-3-(2-methyl-3-pyrazolyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[(E)-3-(2-methylpyrazol-3-yl)acryloyl]amino]-4-(methylthio)butyric acid Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C=CC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CN1C(=CC=N1)/C=C/C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C12H17N3O3S/c1-15-9(5-7-13-15)3-4-11(16)14-10(12(17)18)6-8-19-2/h3-5,7,10H,6,8H2,1-2H3,(H,14,16)(H,17,18)/b4-3+