(E)-3-(4-butoxy-3-ethoxy-phenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide CAS Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]acrylamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)NC2=NN=C(S2)C(CC)CC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)C(CC)CC)OCC

InChI

InChI=1S/C22H31N3O3S/c1-5-9-14-28-18-12-10-16(15-19(18)27-8-4)11-13-20(26)23-22-25-24-21(29-22)17(6-2)7-3/h10-13,15,17H,5-9,14H2,1-4H3,(H,23,25,26)/b13-11+