[(2R)-1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [(2R)-1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [(1R)-2-(3-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [(2R)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [(1R)-2-(3-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C16H18ClFN2O3S2 MolecularWeight: 404.907123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)Cl)OC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)F)Cl)OC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C16H18ClFN2O3S2/c1-10(15(22)19-11-4-5-13(18)12(17)8-11)23-14(21)9-25-16(24)20-6-2-3-7-20/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,19,22)/t10-/m1/s1