(2-butoxy-2-oxidanylidene-ethyl) (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: (2-butoxy-2-oxo-ethyl) (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-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) (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-butoxy-2-keto-ethyl) ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-2-3-13-27-21(26)16-28-20(25)12-11-17-15-24(18-8-5-4-6-9-18)23-22(17)19-10-7-14-29-19/h4-12,14-15H,2-3,13,16H2,1H3/b12-11+