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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)C=C(C#N)C(=O)NC3=C(C=CS3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)/C=C(\C#N)/C(=O)NC3=C(C=CS3)C(=O)OC

InChI

InChI=1S/C20H16N4O4S/c1-27-15-5-3-12(4-6-15)17-14(11-22-24-17)9-13(10-21)18(25)23-19-16(7-8-29-19)20(26)28-2/h3-9,11H,1-2H3,(H,22,24)(H,23,25)/b13-9+