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

Systemtic Name: methyl 4-methyl-2-[(2S)-2-[(phenylmethylsulfanyl)methyl]aziridin-1-yl]pentanoate Openeye Name: methyl 2-[(2S)-2-(benzylsulfanylmethyl)aziridin-1-yl]-4-methyl-pentanoate CAS Name: 4-methyl-2-[(2S)-2-[(phenylmethylthio)methyl]-1-aziridinyl]pentanoic acid methyl ester IUPAC Name: methyl 2-[(2S)-2-(benzylsulfanylmethyl)aziridin-1-yl]-4-methylpentanoate Traditional Name: 2-[(2S)-2-[(benzylthio)methyl]ethylenimin-1-yl]-4-methyl-valeric acid methyl ester Formula: C17H25NO2S MolecularWeight: 307.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)N1CC1CSCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)OC)N1C[C@H]1CSCC2=CC=CC=C2

InChI

InChI=1S/C17H25NO2S/c1-13(2)9-16(17(19)20-3)18-10-15(18)12-21-11-14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3/t15-,16?,18?/m0/s1