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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C28H24N4O4S MolecularWeight: 512.57956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4)/C#N)C

InChI

InChI=1S/C28H24N4O4S/c1-17-18(2)37-27(24(17)28(34)36-4)30-26(33)20(15-29)14-21-16-32(22-8-6-5-7-9-22)31-25(21)19-10-12-23(35-3)13-11-19/h5-14,16H,1-4H3,(H,30,33)/b20-14+