4-[[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(m-tolylmethylsulfanyl)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[(3-methylbenzyl)thio]acetyl]amino]methyl]benzoic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-13-3-2-4-15(9-13)11-23-12-17(20)19-10-14-5-7-16(8-6-14)18(21)22/h2-9H,10-12H2,1H3,(H,19,20)(H,21,22)