5-[[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[2-(3-chloro-4-fluoro-phenyl)sulfanylacetyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[2-[(3-chloro-4-fluorophenyl)thio]-1-oxoethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-[(3-chloro-4-fluoro-phenyl)thio]acetyl]amino]methyl]-2-methoxy-benzoic acid Formula: C17H15ClFNO4S MolecularWeight: 383.821703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC(=C(C=C2)F)Cl)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC(=C(C=C2)F)Cl)C(=O)O

InChI

InChI=1S/C17H15ClFNO4S/c1-24-15-5-2-10(6-12(15)17(22)23)8-20-16(21)9-25-11-3-4-14(19)13(18)7-11/h2-7H,8-9H2,1H3,(H,20,21)(H,22,23)