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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(S1)NC(=O)C(=CC2=C(NN=C2)C3=CC=CC=C3)C#N)C(=O)OC

Isomeric SMILES

CC(C)C1=CC(=C(S1)NC(=O)/C(=C/C2=C(NN=C2)C3=CC=CC=C3)/C#N)C(=O)OC

InChI

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