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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4S/c1-3-29-21(27)17-8-9-30-20(17)24-19(26)14(11-22)10-15-12-23-25-18(15)13-4-6-16(28-2)7-5-13/h4-10,12H,3H2,1-2H3,(H,23,25)(H,24,26)/b14-10+