N-[3-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-1-(2-cyano-4-fluoranyl-pyrrolidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: N-[3-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-1-(2-cyano-4-fluoranyl-pyrrolidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: N-[2-[(5-chlorobenzothiophen-3-yl)methylsulfanyl]-1-(2-cyano-4-fluoro-pyrrolidine-1-carbonyl)-2-methyl-propyl]carbamate CAS Name: N-[3-[(5-chloro-1-benzothiophen-3-yl)methylthio]-1-(2-cyano-4-fluoro-1-pyrrolidinyl)-3-methyl-1-oxobutan-2-yl]carbamate IUPAC Name: N-[3-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-1-(2-cyano-4-fluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[2-[(5-chlorobenzothiophen-3-yl)methylthio]-1-(2-cyano-4-fluoro-pyrrolidine-1-carbonyl)-2-methyl-propyl]carbamate Formula: C20H20ClFN3O3S2- MolecularWeight: 468.972503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N1CC(CC1C#N)F)NC(=O)[O-])SCC2=CSC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(C(=O)N1CC(CC1C#N)F)NC(=O)[O-])SCC2=CSC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C20H21ClFN3O3S2/c1-20(2,30-10-11-9-29-16-4-3-12(21)5-15(11)16)17(24-19(27)28)18(26)25-8-13(22)6-14(25)7-23/h3-5,9,13-14,17,24H,6,8,10H2,1-2H3,(H,27,28)/p-1