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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)NC2=C(C=C(C=C2)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)NC2=C(C=C(C=C2)O)C(=O)O

InChI

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