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

Systemtic Name: 2-methoxyethyl (E)-2-cyano-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoate Openeye Name: 2-methoxyethyl (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propenoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-cyano-acrylic acid 2-methoxyethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c1-26-9-10-27-21(25)17(13-22)12-18-15-24(14-16-6-3-2-4-7-16)23-20(18)19-8-5-11-28-19/h2-8,11-12,15H,9-10,14H2,1H3/b17-12+