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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(butylamino)-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-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-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-(butylamino)-2-keto-ethyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-2-3-13-23-20(26)16-28-21(27)12-11-17-15-25(18-8-5-4-6-9-18)24-22(17)19-10-7-14-29-19/h4-12,14-15H,2-3,13,16H2,1H3,(H,23,26)/b12-11+