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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H13N5O3S MolecularWeight: 379.39252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CSC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CSC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C18H13N5O3S/c24-17(10-27-16-9-19-14-7-3-4-8-15(14)20-16)26-11-23-18(25)12-5-1-2-6-13(12)21-22-23/h1-9H,10-11H2