methyl 4-methyl-2-[(2S)-2-(phenylmethylsulfanyl)aziridin-1-yl]pentanoate

Systemtic Name: methyl 4-methyl-2-[(2S)-2-(phenylmethylsulfanyl)aziridin-1-yl]pentanoate Openeye Name: methyl 2-[(2S)-2-benzylsulfanylaziridin-1-yl]-4-methyl-pentanoate CAS Name: 4-methyl-2-[(2S)-2-(phenylmethylthio)-1-aziridinyl]pentanoic acid methyl ester IUPAC Name: methyl 2-[(2S)-2-benzylsulfanylaziridin-1-yl]-4-methylpentanoate Traditional Name: 2-[(2S)-2-(benzylthio)ethylenimin-1-yl]-4-methyl-valeric acid methyl ester Formula: C16H23NO2S MolecularWeight: 293.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)N1CC1SCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)OC)N1C[C@@H]1SCC2=CC=CC=C2

InChI

InChI=1S/C16H23NO2S/c1-12(2)9-14(16(18)19-3)17-10-15(17)20-11-13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3/t14?,15-,17?/m0/s1