3-(chloromethylsulfanyl)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-(chloromethylsulfanyl)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(chloromethylsulfanyl)propanoic acid CAS Name: 3-(chloromethylthio)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(chloromethylsulfanyl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(chloromethylthio)propionic acid Formula: C12H14ClNO4S MolecularWeight: 303.76186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSCCl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CSCCl)C(=O)O

InChI

InChI=1S/C12H14ClNO4S/c13-8-19-7-10(11(15)16)14-12(17)18-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)(H,15,16)