(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]acetate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H19N3O5S/c1-13(24)14-7-8-18(27-2)15(9-14)10-29-11-19(25)28-12-23-20(26)16-5-3-4-6-17(16)21-22-23/h3-9H,10-12H2,1-2H3