3-(1,3-benzoxazol-2-ylsulfanyl)-2-chloranyl-propanoic acid

Systemtic Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-2-chloranyl-propanoic acid Openeye Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-2-chloro-propanoic acid CAS Name: 3-(1,3-benzoxazol-2-ylthio)-2-chloropropanoic acid IUPAC Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-2-chloropropanoic acid Traditional Name: 3-(1,3-benzoxazol-2-ylthio)-2-chloro-propionic acid Formula: C10H8ClNO3S MolecularWeight: 257.69342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(C(=O)O)Cl

InChI

InChI=1S/C10H8ClNO3S/c11-6(9(13)14)5-16-10-12-7-3-1-2-4-8(7)15-10/h1-4,6H,5H2,(H,13,14)