3-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-4-chloro-benzoic acid CAS Name: 3-[[3-(1,3-benzoxazol-2-ylthio)-1-oxopropyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-4-chlorobenzoic acid Traditional Name: 3-[3-(1,3-benzoxazol-2-ylthio)propanoylamino]-4-chloro-benzoic acid Formula: C17H13ClN2O4S MolecularWeight: 376.81412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C17H13ClN2O4S/c18-11-6-5-10(16(22)23)9-13(11)19-15(21)7-8-25-17-20-12-3-1-2-4-14(12)24-17/h1-6,9H,7-8H2,(H,19,21)(H,22,23)