5-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[2-(m-tolylmethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-[(3-methylbenzyl)thio]acetyl]amino]benzoic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C17H17NO4S/c1-11-3-2-4-12(7-11)9-23-10-16(20)18-13-5-6-15(19)14(8-13)17(21)22/h2-8,19H,9-10H2,1H3,(H,18,20)(H,21,22)