5-bromanyl-2-[2-[(3-chlorophenyl)methylsulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[2-[(3-chlorophenyl)methylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 5-bromo-2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]benzoic acid CAS Name: 5-bromo-2-[[2-[(3-chlorophenyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[2-[(3-chlorobenzyl)thio]acetyl]amino]benzoic acid Formula: C16H13BrClNO3S MolecularWeight: 414.70132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrClNO3S/c17-11-4-5-14(13(7-11)16(21)22)19-15(20)9-23-8-10-2-1-3-12(18)6-10/h1-7H,8-9H2,(H,19,20)(H,21,22)