[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl] ester Formula: C17H21ClN2O3S2 MolecularWeight: 400.94324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)CSC(=S)N2CCCC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)CSC(=S)N2CCCC2)C

InChI

InChI=1S/C17H21ClN2O3S2/c1-11-7-12(2)16(13(18)8-11)19-14(21)9-23-15(22)10-25-17(24)20-5-3-4-6-20/h7-8H,3-6,9-10H2,1-2H3,(H,19,21)