(2-acetamido-1,3-thiazol-4-yl)methyl (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: (2-acetamidothiazol-4-yl)methyl (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-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl (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-acetamidothiazol-4-yl)methyl ester Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)/C=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O3S2/c1-15(27)23-22-24-17(14-31-22)13-29-20(28)10-9-16-12-26(18-6-3-2-4-7-18)25-21(16)19-8-5-11-30-19/h2-12,14H,13H2,1H3,(H,23,24,27)/b10-9+