(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=NOC(=C2)C3=CC=CS3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=NOC(=C2)C3=CC=CS3)OCC#N

InChI

InChI=1S/C20H16N2O5S/c1-24-17-11-14(4-6-16(17)25-9-8-21)5-7-20(23)26-13-15-12-18(27-22-15)19-3-2-10-28-19/h2-7,10-12H,9,13H2,1H3/b7-5+