3-methyl-5-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[[(E)-3-(2-methyl-3-pyrazolyl)-1-oxoprop-2-enyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid Traditional Name: 3-methyl-5-[[(E)-3-(2-methylpyrazol-3-yl)acryloyl]amino]-2-thenoic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C=CC2=CC=NN2C)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)/C=C/C2=CC=NN2C)C(=O)O

InChI

InChI=1S/C13H13N3O3S/c1-8-7-11(20-12(8)13(18)19)15-10(17)4-3-9-5-6-14-16(9)2/h3-7H,1-2H3,(H,15,17)(H,18,19)/b4-3+