N-[3-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)-1-(2-cyano-4-fluoranyl-pyrrolidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: N-[3-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)-1-(2-cyano-4-fluoranyl-pyrrolidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: N-[2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)-1-(2-cyano-4-fluoro-pyrrolidine-1-carbonyl)-2-methyl-propyl]carbamate CAS Name: N-[3-(2,1,3-benzoxadiazol-5-ylmethylthio)-1-(2-cyano-4-fluoro-1-pyrrolidinyl)-3-methyl-1-oxobutan-2-yl]carbamate IUPAC Name: N-[3-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)-1-(2-cyano-4-fluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[2-(benzofurazan-5-ylmethylthio)-1-(2-cyano-4-fluoro-pyrrolidine-1-carbonyl)-2-methyl-propyl]carbamate Formula: C18H19FN5O4S- MolecularWeight: 420.437963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N1CC(CC1C#N)F)NC(=O)[O-])SCC2=CC3=NON=C3C=C2

Isomeric SMILES

CC(C)(C(C(=O)N1CC(CC1C#N)F)NC(=O)[O-])SCC2=CC3=NON=C3C=C2

InChI

InChI=1S/C18H20FN5O4S/c1-18(2,29-9-10-3-4-13-14(5-10)23-28-22-13)15(21-17(26)27)16(25)24-8-11(19)6-12(24)7-20/h3-5,11-12,15,21H,6,8-9H2,1-2H3,(H,26,27)/p-1