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

Systemtic Name: 5-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]thiophene-2-carboxylic acid Openeye Name: 5-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]thiophene-2-carboxylic acid CAS Name: 5-[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]thiophene-2-carboxylic acid Traditional Name: 5-[(E)-3-(1-methylpyrazol-4-yl)acryloyl]-2-thenoic acid Formula: C12H10N2O3S MolecularWeight: 262.2844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)C2=CC=C(S2)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)C2=CC=C(S2)C(=O)O

InChI

InChI=1S/C12H10N2O3S/c1-14-7-8(6-13-14)2-3-9(15)10-4-5-11(18-10)12(16)17/h2-7H,1H3,(H,16,17)/b3-2+