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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enoyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(5-phenyl-1H-pyrazol-4-yl)acryloyl]amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S/c1-3-7-17-11-18(22(28)29-2)21(30-17)25-20(27)15(12-23)10-16-13-24-26-19(16)14-8-5-4-6-9-14/h4-6,8-11,13H,3,7H2,1-2H3,(H,24,26)(H,25,27)/b15-10+