(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]benzoate CAS Name: 2-[[(2R)-2-oxolanyl]methylthio]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Traditional Name: 2-[[(2R)-tetrahydrofuran-2-yl]methylthio]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CSC2=CC=CC=C2C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1C[C@@H](OC1)CSC2=CC=CC=C2C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H19N3O4S/c24-19-15-7-1-3-9-17(15)21-22-23(19)13-27-20(25)16-8-2-4-10-18(16)28-12-14-6-5-11-26-14/h1-4,7-10,14H,5-6,11-13H2/t14-/m1/s1