1,3-benzoxazol-2-ylmethyl 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: 1,3-benzoxazol-2-ylmethyl 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H15NO4S/c1-12(20)11-24-16-9-5-2-6-13(16)18(21)22-10-17-19-14-7-3-4-8-15(14)23-17/h2-9H,10-11H2,1H3