[(3S)-2-oxidanylideneoxolan-3-yl] (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propenoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1OC(=O)C=CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1COC(=O)[C@H]1OC(=O)/C=C/C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O4S/c24-19(27-17-10-11-26-21(17)25)9-8-16-14-23(13-15-5-2-1-3-6-15)22-20(16)18-7-4-12-28-18/h1-9,12,14,17H,10-11,13H2/b9-8+/t17-/m0/s1