2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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