2-methoxy-5-[[2-(4-methylphenyl)sulfanylethanoylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[2-(4-methylphenyl)sulfanylethanoylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[2-(p-tolylsulfanyl)acetyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[2-(p-tolylthio)acetyl]amino]methyl]benzoic acid Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C18H19NO4S/c1-12-3-6-14(7-4-12)24-11-17(20)19-10-13-5-8-16(23-2)15(9-13)18(21)22/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22)