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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[4-(3,5-diphenyl-1-pyrazolyl)phenyl]-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C34H28N4O3S MolecularWeight: 572.67612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CC=C(C=C2)N3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C/C2=CC=C(C=C2)N3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)/C#N

InChI

InChI=1S/C34H28N4O3S/c1-4-41-34(40)31-22(2)23(3)42-33(31)36-32(39)27(21-35)19-24-15-17-28(18-16-24)38-30(26-13-9-6-10-14-26)20-29(37-38)25-11-7-5-8-12-25/h5-20H,4H2,1-3H3,(H,36,39)/b27-19+