2-[[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]amino]-4-(methylthio)butyric acid Formula: C13H18ClN3O3S MolecularWeight: 331.81832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NC(CCSC)C(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NC(CCSC)C(=O)O)Cl)C

InChI

InChI=1S/C13H18ClN3O3S/c1-8-9(12(14)17(2)16-8)4-5-11(18)15-10(13(19)20)6-7-21-3/h4-5,10H,6-7H2,1-3H3,(H,15,18)(H,19,20)/b5-4+