(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-phenylsulfanylethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-phenylsulfanylethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H13N3O3S/c20-15(10-23-12-6-2-1-3-7-12)22-11-19-16(21)13-8-4-5-9-14(13)17-18-19/h1-9H,10-11H2