pyridin-2-ylmethyl (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: pyridin-2-ylmethyl (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: 2-pyridylmethyl (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid 2-pyridylmethyl ester Formula: C22H17N3O2S MolecularWeight: 387.45428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=CC(=O)OCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)/C=C/C(=O)OCC4=CC=CC=N4

InChI

InChI=1S/C22H17N3O2S/c26-21(27-16-18-7-4-5-13-23-18)12-11-17-15-25(19-8-2-1-3-9-19)24-22(17)20-10-6-14-28-20/h1-15H,16H2/b12-11+