2-[(4-chlorophenyl)methylamino]-3-(2-hydroxyethylsulfanyl)propanoic acid

Systemtic Name: 2-[(4-chlorophenyl)methylamino]-3-(2-hydroxyethylsulfanyl)propanoic acid Openeye Name: 2-[(4-chlorophenyl)methylamino]-3-(2-hydroxyethylsulfanyl)propanoic acid CAS Name: 2-[(4-chlorophenyl)methylamino]-3-(2-hydroxyethylthio)propanoic acid IUPAC Name: 2-[(4-chlorophenyl)methylamino]-3-(2-hydroxyethylsulfanyl)propanoic acid Traditional Name: 2-[(4-chlorobenzyl)amino]-3-(2-hydroxyethylthio)propionic acid Formula: C12H16ClNO3S MolecularWeight: 289.77834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(CSCCO)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(CSCCO)C(=O)O)Cl

InChI

InChI=1S/C12H16ClNO3S/c13-10-3-1-9(2-4-10)7-14-11(12(16)17)8-18-6-5-15/h1-4,11,14-15H,5-8H2,(H,16,17)