ethyl 2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]ethanoate Openeye Name: ethyl 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]acetate CAS Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]acetate Traditional Name: 2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]acetic acid ethyl ester Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CCOC(=O)CSCN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C12H13N3O3S/c1-2-18-11(16)7-19-8-15-12(17)9-5-3-4-6-10(9)13-14-15/h3-6H,2,7-8H2,1H3