ethyl (E)-3-[4-[2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxoethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]amino]phenyl]acrylic acid ethyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC(=O)NC2=CC=C(C=C2)C=CC(=O)OCC)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC(=O)NC2=CC=C(C=C2)/C=C/C(=O)OCC)C)C

InChI

InChI=1S/C22H29N3O3S/c1-5-7-14-25-17(4)16(3)23-22(25)29-15-20(26)24-19-11-8-18(9-12-19)10-13-21(27)28-6-2/h8-13H,5-7,14-15H2,1-4H3,(H,24,26)/b13-10+