5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-5-(2-methyl-2,3-dihydrobenzofuran-5-yl)isoxazole-3-carboxamide CAS Name: 5-(2-methyl-2,3-dihydrobenzofuran-5-yl)-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-3-isoxazolecarboxamide IUPAC Name: 5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-5-(2-methylcoumaran-5-yl)isoxazole-3-carboxamide Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C3=CC(=NO3)C(=O)NC4=NN=C(S4)SCC=C

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)C3=CC(=NO3)C(=O)NC4=NN=C(S4)SCC=C

InChI

InChI=1S/C18H16N4O3S2/c1-3-6-26-18-21-20-17(27-18)19-16(23)13-9-15(25-22-13)11-4-5-14-12(8-11)7-10(2)24-14/h3-5,8-10H,1,6-7H2,2H3,(H,19,20,23)