5-[2-(4-methoxyphenyl)ethanoyl-methyl-amino]-2-methylsulfanyl-benzoic acid

Systemtic Name: 5-[2-(4-methoxyphenyl)ethanoyl-methyl-amino]-2-methylsulfanyl-benzoic acid Openeye Name: 5-[[2-(4-methoxyphenyl)acetyl]-methyl-amino]-2-methylsulfanyl-benzoic acid CAS Name: 5-[[2-(4-methoxyphenyl)-1-oxoethyl]-methylamino]-2-(methylthio)benzoic acid IUPAC Name: 5-[[2-(4-methoxyphenyl)acetyl]-methylamino]-2-methylsulfanylbenzoic acid Traditional Name: 5-[[2-(4-methoxyphenyl)acetyl]-methyl-amino]-2-(methylthio)benzoic acid Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=C(C=C1)SC)C(=O)O)C(=O)CC2=CC=C(C=C2)OC

Isomeric SMILES

CN(C1=CC(=C(C=C1)SC)C(=O)O)C(=O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H19NO4S/c1-19(13-6-9-16(24-3)15(11-13)18(21)22)17(20)10-12-4-7-14(23-2)8-5-12/h4-9,11H,10H2,1-3H3,(H,21,22)