prop-2-enyl (E)-2-cyano-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: prop-2-enyl (E)-2-cyano-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: allyl (E)-2-cyano-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-2-cyano-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid allyl ester Formula: C20H15N3O2S MolecularWeight: 361.417

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C(=CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)C#N

Isomeric SMILES

C=CCOC(=O)/C(=C/C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C20H15N3O2S/c1-2-10-25-20(24)15(13-21)12-16-14-23(17-7-4-3-5-8-17)22-19(16)18-9-6-11-26-18/h2-9,11-12,14H,1,10H2/b15-12+