5-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-2-chloro-benzoic acid CAS Name: 5-[[2-(1,3-benzoxazol-2-ylthio)-1-oxopropyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[2-(1,3-benzoxazol-2-ylthio)propanoylamino]-2-chloro-benzoic acid Formula: C17H13ClN2O4S MolecularWeight: 376.81412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H13ClN2O4S/c1-9(25-17-20-13-4-2-3-5-14(13)24-17)15(21)19-10-6-7-12(18)11(8-10)16(22)23/h2-9H,1H3,(H,19,21)(H,22,23)