propan-2-yl 2-[[(E)-2-cyano-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[(E)-2-cyano-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 2-[[(E)-2-cyano-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(E)-2-cyano-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC=C1)NC(=O)C(=CC2=C(NN=C2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC(C)OC(=O)C1=C(SC=C1)NC(=O)/C(=C/C2=C(NN=C2)C3=CC=C(C=C3)OC)/C#N

InChI

InChI=1S/C22H20N4O4S/c1-13(2)30-22(28)18-8-9-31-21(18)25-20(27)15(11-23)10-16-12-24-26-19(16)14-4-6-17(29-3)7-5-14/h4-10,12-13H,1-3H3,(H,24,26)(H,25,27)/b15-10+