S-ethyl (2S,3S)-2-(chloromethyl)-3-(4-nitrophenyl)-3-oxidanyl-propanethioate

Systemtic Name: S-ethyl (2S,3S)-2-(chloromethyl)-3-(4-nitrophenyl)-3-oxidanyl-propanethioate Openeye Name: S-ethyl (2S,3S)-2-(chloromethyl)-3-hydroxy-3-(4-nitrophenyl)propanethioate CAS Name: (2S,3S)-2-(chloromethyl)-3-hydroxy-3-(4-nitrophenyl)propanethioic acid S-ethyl ester IUPAC Name: S-ethyl (2S,3S)-2-(chloromethyl)-3-hydroxy-3-(4-nitrophenyl)propanethioate Traditional Name: (2S,3S)-2-(chloromethyl)-3-hydroxy-3-(4-nitrophenyl)propanethioic acid S-ethyl ester Formula: C12H14ClNO4S MolecularWeight: 303.76186

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(CCl)C(C1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CCSC(=O)[C@@H](CCl)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C12H14ClNO4S/c1-2-19-12(16)10(7-13)11(15)8-3-5-9(6-4-8)14(17)18/h3-6,10-11,15H,2,7H2,1H3/t10-,11+/m0/s1