2-[2-[(2-chlorophenyl)methylsulfanyl]ethanoylamino]-5-methyl-benzoic acid

Systemtic Name: 2-[2-[(2-chlorophenyl)methylsulfanyl]ethanoylamino]-5-methyl-benzoic acid Openeye Name: 2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]-5-methyl-benzoic acid CAS Name: 2-[[2-[(2-chlorophenyl)methylthio]-1-oxoethyl]amino]-5-methylbenzoic acid IUPAC Name: 2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]-5-methylbenzoic acid Traditional Name: 2-[[2-[(2-chlorobenzyl)thio]acetyl]amino]-5-methyl-benzoic acid Formula: C17H16ClNO3S MolecularWeight: 349.83184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC2=CC=CC=C2Cl)C(=O)O

InChI

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