2-methoxy-5-[[2-(phenylmethylsulfanyl)ethanoylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[2-(phenylmethylsulfanyl)ethanoylamino]methyl]benzoic acid Openeye Name: 5-[[(2-benzylsulfanylacetyl)amino]methyl]-2-methoxy-benzoic acid CAS Name: 2-methoxy-5-[[[1-oxo-2-(phenylmethylthio)ethyl]amino]methyl]benzoic acid IUPAC Name: 5-[[(2-benzylsulfanylacetyl)amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-(benzylthio)acetyl]amino]methyl]-2-methoxy-benzoic acid Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H19NO4S/c1-23-16-8-7-14(9-15(16)18(21)22)10-19-17(20)12-24-11-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,19,20)(H,21,22)