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

Systemtic Name: 5-[[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid Openeye Name: 5-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid CAS Name: 5-[[(E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid Traditional Name: 5-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]amino]-2-thenoic acid Formula: C13H12ClN3O3S MolecularWeight: 325.77068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NC2=CC=C(S2)C(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NC2=CC=C(S2)C(=O)O)Cl)C

InChI

InChI=1S/C13H12ClN3O3S/c1-7-8(12(14)17(2)16-7)3-5-10(18)15-11-6-4-9(21-11)13(19)20/h3-6H,1-2H3,(H,15,18)(H,19,20)/b5-3+