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

Systemtic Name: 3-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid Openeye Name: 3-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid CAS Name: 3-[[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid Traditional Name: 3-[[(E)-3-(1-methylpyrazol-4-yl)acryloyl]amino]-2-thenoic acid Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)NC2=C(SC=C2)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)NC2=C(SC=C2)C(=O)O

InChI

InChI=1S/C12H11N3O3S/c1-15-7-8(6-13-15)2-3-10(16)14-9-4-5-19-11(9)12(17)18/h2-7H,1H3,(H,14,16)(H,17,18)/b3-2+