4-(1,3-benzoxazol-2-ylmethylsulfanyl)benzoic acid

Systemtic Name: 4-(1,3-benzoxazol-2-ylmethylsulfanyl)benzoic acid Openeye Name: 4-(1,3-benzoxazol-2-ylmethylsulfanyl)benzoic acid CAS Name: 4-(1,3-benzoxazol-2-ylmethylthio)benzoic acid IUPAC Name: 4-(1,3-benzoxazol-2-ylmethylsulfanyl)benzoic acid Traditional Name: 4-(1,3-benzoxazol-2-ylmethylthio)benzoic acid Formula: C15H11NO3S MolecularWeight: 285.31774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)CSC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)CSC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H11NO3S/c17-15(18)10-5-7-11(8-6-10)20-9-14-16-12-3-1-2-4-13(12)19-14/h1-8H,9H2,(H,17,18)