[4-[[(E)-3-(1-methyl-5-thiophen-2-yl-pyrazol-4-yl)prop-2-enoyl]amino]phenyl]methylphosphonic acid

Systemtic Name: [4-[[(E)-3-(1-methyl-5-thiophen-2-yl-pyrazol-4-yl)prop-2-enoyl]amino]phenyl]methylphosphonic acid Openeye Name: [4-[[(E)-3-[1-methyl-5-(2-thienyl)pyrazol-4-yl]prop-2-enoyl]amino]phenyl]methylphosphonic acid CAS Name: [4-[[(E)-3-(1-methyl-5-thiophen-2-yl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]phenyl]methylphosphonic acid IUPAC Name: [4-[[(E)-3-(1-methyl-5-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]methylphosphonic acid Traditional Name: [4-[[(E)-3-[1-methyl-5-(2-thienyl)pyrazol-4-yl]acryloyl]amino]benzyl]phosphonic acid Formula: C18H18N3O4PS MolecularWeight: 403.391981

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C=CC(=O)NC2=CC=C(C=C2)CP(=O)(O)O)C3=CC=CS3

Isomeric SMILES

CN1C(=C(C=N1)/C=C/C(=O)NC2=CC=C(C=C2)CP(=O)(O)O)C3=CC=CS3

InChI

InChI=1S/C18H18N3O4PS/c1-21-18(16-3-2-10-27-16)14(11-19-21)6-9-17(22)20-15-7-4-13(5-8-15)12-26(23,24)25/h2-11H,12H2,1H3,(H,20,22)(H2,23,24,25)/b9-6+