methyl (2R)-4-methylsulfanyl-2-[nitroso-(phenylmethyl)amino]butanoate

Systemtic Name: methyl (2R)-4-methylsulfanyl-2-[nitroso-(phenylmethyl)amino]butanoate Openeye Name: methyl (2R)-2-[benzyl(nitroso)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-4-(methylthio)-2-[nitroso-(phenylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[benzyl(nitroso)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[benzyl(nitroso)amino]-4-(methylthio)butyric acid methyl ester Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)N(CC1=CC=CC=C1)N=O

Isomeric SMILES

COC(=O)[C@@H](CCSC)N(CC1=CC=CC=C1)N=O

InChI

InChI=1S/C13H18N2O3S/c1-18-13(16)12(8-9-19-2)15(14-17)10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3/t12-/m1/s1