(E)-3-(4-hexoxy-3-methoxy-phenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-hexoxy-3-methoxy-phenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-hexoxy-3-methoxy-phenyl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(4-hexoxy-3-methoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(4-hexoxy-3-methoxyphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-hexoxy-3-methoxy-phenyl)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=CC(=O)NC2=NN=C(S2)C(C)C)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)C(C)C)OC

InChI

InChI=1S/C21H29N3O3S/c1-5-6-7-8-13-27-17-11-9-16(14-18(17)26-4)10-12-19(25)22-21-24-23-20(28-21)15(2)3/h9-12,14-15H,5-8,13H2,1-4H3,(H,22,24,25)/b12-10+