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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[4-(3,5-diphenyl-2-pyrazolin-1-yl)phenyl]acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C38H30N4O3S MolecularWeight: 622.7348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=CC3=CC=C(C=C3)N4C(CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)/C(=C/C3=CC=C(C=C3)N4C(CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6)/C#N

InChI

InChI=1S/C38H30N4O3S/c1-2-45-38(44)35-32(27-12-6-3-7-13-27)25-46-37(35)40-36(43)30(24-39)22-26-18-20-31(21-19-26)42-34(29-16-10-5-11-17-29)23-33(41-42)28-14-8-4-9-15-28/h3-22,25,34H,2,23H2,1H3,(H,40,43)/b30-22+