(2-methoxy-2-oxidanylidene-ethyl) (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-methoxy-2-oxo-ethyl) (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 (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) (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 (2-keto-2-methoxy-ethyl) ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC(=O)C=CC1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)COC(=O)/C=C/C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O4S/c1-25-19(24)14-26-18(23)10-9-16-13-22(12-15-6-3-2-4-7-15)21-20(16)17-8-5-11-27-17/h2-11,13H,12,14H2,1H3/b10-9+