methyl 1-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl 1-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpyrrolidine-2-carboxylate Openeye Name: methyl 1-(2-chloro-5-methylsulfanyl-benzoyl)pyrrolidine-2-carboxylate CAS Name: 1-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-chloro-5-methylsulfanylbenzoyl)pyrrolidine-2-carboxylate Traditional Name: 1-[2-chloro-5-(methylthio)benzoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C14H16ClNO3S MolecularWeight: 313.79974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

COC(=O)C1CCCN1C(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C14H16ClNO3S/c1-19-14(18)12-4-3-7-16(12)13(17)10-8-9(20-2)5-6-11(10)15/h5-6,8,12H,3-4,7H2,1-2H3