(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-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-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC(=O)OCC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)OCC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C21H17N3O3S/c25-21(26-15-18-11-19(27-23-18)20-7-4-10-28-20)9-8-17-12-22-24(14-17)13-16-5-2-1-3-6-16/h1-12,14H,13,15H2/b9-8+