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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O

InChI

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