methyl (2S,3R)-2-(benzenecarbonothioylamino)-3-oxidanyl-butanoate

Systemtic Name: methyl (2S,3R)-2-(benzenecarbonothioylamino)-3-oxidanyl-butanoate Openeye Name: methyl (2S,3R)-2-(benzenecarbonothioylamino)-3-hydroxy-butanoate CAS Name: (2S,3R)-2-(benzenecarbonothioylamino)-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl (2S,3R)-2-(benzenecarbonothioylamino)-3-hydroxybutanoate Traditional Name: (2S,3R)-2-(benzenecarbonothioylamino)-3-hydroxy-butyric acid methyl ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC)NC(=S)C1=CC=CC=C1)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)OC)NC(=S)C1=CC=CC=C1)O

InChI

InChI=1S/C12H15NO3S/c1-8(14)10(12(15)16-2)13-11(17)9-6-4-3-5-7-9/h3-8,10,14H,1-2H3,(H,13,17)/t8-,10+/m1/s1