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

Systemtic Name: (phenylmethyl) (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: benzyl (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 (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C23H18N2O2S MolecularWeight: 386.46622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)/C=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H18N2O2S/c26-22(27-17-18-8-3-1-4-9-18)14-13-19-16-25(20-10-5-2-6-11-20)24-23(19)21-12-7-15-28-21/h1-16H,17H2/b14-13+