methyl (2S,3R)-2-(methylsulfanylcarbothioylamino)-3-oxidanyl-3-phenyl-propanoate

Systemtic Name: methyl (2S,3R)-2-(methylsulfanylcarbothioylamino)-3-oxidanyl-3-phenyl-propanoate Openeye Name: methyl (2S,3R)-3-hydroxy-2-(methylsulfanylcarbothioylamino)-3-phenyl-propanoate CAS Name: (2S,3R)-3-hydroxy-2-[[(methylthio)-sulfanylidenemethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-hydroxy-2-(methylsulfanylcarbothioylamino)-3-phenylpropanoate Traditional Name: (2S,3R)-3-hydroxy-2-[(methylthio)carbothioylamino]-3-phenyl-propionic acid methyl ester Formula: C12H15NO3S2 MolecularWeight: 285.3824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC=CC=C1)O)NC(=S)SC

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S2/c1-16-11(15)9(13-12(17)18-2)10(14)8-6-4-3-5-7-8/h3-7,9-10,14H,1-2H3,(H,13,17)/t9-,10+/m0/s1