2-(3-chloranyl-4-thiomorpholin-4-yl-phenyl)propanoic acid

Systemtic Name: 2-(3-chloranyl-4-thiomorpholin-4-yl-phenyl)propanoic acid Openeye Name: 2-(3-chloro-4-thiomorpholino-phenyl)propanoic acid CAS Name: 2-(3-chloro-4-thiomorpholin-4-ylphenyl)propanoic acid IUPAC Name: 2-(3-chloro-4-thiomorpholin-4-ylphenyl)propanoic acid Traditional Name: 2-(3-chloro-4-thiomorpholino-phenyl)propionic acid Formula: C13H16ClNO2S MolecularWeight: 285.78964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)N2CCSCC2)Cl)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)N2CCSCC2)Cl)C(=O)O

InChI

InChI=1S/C13H16ClNO2S/c1-9(13(16)17)10-2-3-12(11(14)8-10)15-4-6-18-7-5-15/h2-3,8-9H,4-7H2,1H3,(H,16,17)