methyl 4-oxidanyl-5-(pyridin-2-ylcarbamothioylsulfanyl)pentanoate

Systemtic Name: methyl 4-oxidanyl-5-(pyridin-2-ylcarbamothioylsulfanyl)pentanoate Openeye Name: methyl 4-hydroxy-5-(2-pyridylcarbamothioylsulfanyl)pentanoate CAS Name: 4-hydroxy-5-[[(2-pyridinylamino)-sulfanylidenemethyl]thio]pentanoic acid methyl ester IUPAC Name: methyl 4-hydroxy-5-(pyridin-2-ylcarbamothioylsulfanyl)pentanoate Traditional Name: 4-hydroxy-5-(2-pyridylthiocarbamoylthio)valeric acid methyl ester Formula: C12H16N2O3S2 MolecularWeight: 300.39704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CSC(=S)NC1=CC=CC=N1)O

Isomeric SMILES

COC(=O)CCC(CSC(=S)NC1=CC=CC=N1)O

InChI

InChI=1S/C12H16N2O3S2/c1-17-11(16)6-5-9(15)8-19-12(18)14-10-4-2-3-7-13-10/h2-4,7,9,15H,5-6,8H2,1H3,(H,13,14,18)