(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)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-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H16N4O4S/c1-13-10-14(22-28-13)11-29-18-9-5-3-7-16(18)20(26)27-12-24-19(25)15-6-2-4-8-17(15)21-23-24/h2-10H,11-12H2,1H3