(Z)-3-[(2-ethylpyrazol-3-yl)amino]-2-thiophen-3-ylcarbonyl-prop-2-enoic acid

Systemtic Name: (Z)-3-[(2-ethylpyrazol-3-yl)amino]-2-thiophen-3-ylcarbonyl-prop-2-enoic acid Openeye Name: (Z)-3-[(2-ethylpyrazol-3-yl)amino]-2-(thiophene-3-carbonyl)prop-2-enoic acid CAS Name: (Z)-3-[(2-ethyl-3-pyrazolyl)amino]-2-[oxo(3-thiophenyl)methyl]-2-propenoic acid IUPAC Name: (Z)-3-[(2-ethylpyrazol-3-yl)amino]-2-(thiophene-3-carbonyl)prop-2-enoic acid Traditional Name: (Z)-3-[(2-ethylpyrazol-3-yl)amino]-2-(3-thenoyl)acrylic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)NC=C(C(=O)C2=CSC=C2)C(=O)O

Isomeric SMILES

CCN1C(=CC=N1)N/C=C(/C(=O)C2=CSC=C2)\C(=O)O

InChI

InChI=1S/C13H13N3O3S/c1-2-16-11(3-5-15-16)14-7-10(13(18)19)12(17)9-4-6-20-8-9/h3-8,14H,2H2,1H3,(H,18,19)/b10-7-