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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1-oxoprop-2-enyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]acryloyl]amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C(=CC2=C(NN=C2)C3=CC=C(C=C3)OC)C#N)C(=O)OC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)/C(=C/C2=C(NN=C2)C3=CC=C(C=C3)OC)/C#N)C(=O)OC

InChI

InChI=1S/C23H22N4O4S/c1-4-5-18-11-19(23(29)31-3)22(32-18)26-21(28)15(12-24)10-16-13-25-27-20(16)14-6-8-17(30-2)9-7-14/h6-11,13H,4-5H2,1-3H3,(H,25,27)(H,26,28)/b15-10+