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

Systemtic Name: 2-methoxy-5-[[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[2-(p-tolylmethylsulfanyl)acetyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[2-[(4-methylphenyl)methylthio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[2-[(4-methylbenzyl)thio]acetyl]amino]methyl]benzoic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4S/c1-13-3-5-14(6-4-13)11-25-12-18(21)20-10-15-7-8-17(24-2)16(9-15)19(22)23/h3-9H,10-12H2,1-2H3,(H,20,21)(H,22,23)