[(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [(1R)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [(1R)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H19ClN2O3S2 MolecularWeight: 386.91666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O3S2/c1-11(15(21)18-13-6-4-5-12(17)9-13)22-14(20)10-24-16(23)19-7-2-3-8-19/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,18,21)/t11-/m1/s1