2-(3-chloranyl-4-morpholin-4-yl-phenyl)-2-methoxy-ethanethioic S-acid

Systemtic Name: 2-(3-chloranyl-4-morpholin-4-yl-phenyl)-2-methoxy-ethanethioic S-acid Openeye Name: 2-(3-chloro-4-morpholino-phenyl)-2-methoxy-ethanethioic S-acid CAS Name: 2-[3-chloro-4-(4-morpholinyl)phenyl]-2-methoxyethanethioic S-acid IUPAC Name: 2-(3-chloro-4-morpholin-4-ylphenyl)-2-methoxyethanethioic S-acid Traditional Name: 2-(3-chloro-4-morpholino-phenyl)-2-methoxy-thioacetic acid Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC(=C(C=C1)N2CCOCC2)Cl)C(=O)S

Isomeric SMILES

COC(C1=CC(=C(C=C1)N2CCOCC2)Cl)C(=O)S

InChI

InChI=1S/C13H16ClNO3S/c1-17-12(13(16)19)9-2-3-11(10(14)8-9)15-4-6-18-7-5-15/h2-3,8,12H,4-7H2,1H3,(H,16,19)