methyl 3-(2-methylsulfanylphenyl)propanoate; 2-methylsulfanyl-1,2-oxaziridin-3-one

Systemtic Name: methyl 3-(2-methylsulfanylphenyl)propanoate; 2-methylsulfanyl-1,2-oxaziridin-3-one Openeye Name: methyl 3-(2-methylsulfanylphenyl)propanoate; 2-methylsulfanyloxaziridin-3-one CAS Name: 2-(methylthio)-3-oxaziridinone; 3-[2-(methylthio)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylphenyl)propanoate; 2-methylsulfanyloxaziridin-3-one Traditional Name: 2-(methylthio)oxaziridin-3-one; 3-[2-(methylthio)phenyl]propionic acid methyl ester Formula: C13H17NO4S2 MolecularWeight: 315.40838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=CC=C1SC.CSN1C(=O)O1

Isomeric SMILES

COC(=O)CCC1=CC=CC=C1SC.CSN1C(=O)O1

InChI

InChI=1S/C11H14O2S.C2H3NO2S/c1-13-11(12)8-7-9-5-3-4-6-10(9)14-2;1-6-3-2(4)5-3/h3-6H,7-8H2,1-2H3;1H3