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

Systemtic Name: 4-chloranyl-2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-chloro-2-[[2-(m-tolylmethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 4-chloro-2-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-chloro-2-[[2-[(3-methylbenzyl)thio]acetyl]amino]benzoic acid Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO3S/c1-11-3-2-4-12(7-11)9-23-10-16(20)19-15-8-13(18)5-6-14(15)17(21)22/h2-8H,9-10H2,1H3,(H,19,20)(H,21,22)