2-(ethylsulfonylamino)-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-(ethylsulfonylamino)-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-(ethylsulfonylamino)propanoic acid CAS Name: 2-(ethylsulfonylamino)-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-(ethylsulfonylamino)propanoic acid Traditional Name: 3-(benzylthio)-2-(esylamino)propionic acid Formula: C12H17NO4S2 MolecularWeight: 303.39768

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(CSCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCS(=O)(=O)NC(CSCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H17NO4S2/c1-2-19(16,17)13-11(12(14)15)9-18-8-10-6-4-3-5-7-10/h3-7,11,13H,2,8-9H2,1H3,(H,14,15)