1,3-benzothiazol-2-ylmethyl 3,4,5-triacetyloxybenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3,4,5-triacetyloxybenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3,4,5-triacetoxybenzoate CAS Name: 3,4,5-triacetyloxybenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3,4,5-triacetyloxybenzoate Traditional Name: 3,4,5-triacetoxybenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H17NO8S MolecularWeight: 443.42658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H17NO8S/c1-11(23)28-16-8-14(9-17(29-12(2)24)20(16)30-13(3)25)21(26)27-10-19-22-15-6-4-5-7-18(15)31-19/h4-9H,10H2,1-3H3