ethyl 2-[(7-methoxy-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(7-methoxy-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(7-methoxy-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)sulfanyl]acetate CAS Name: 2-[(7-methoxy-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(7-methoxy-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)sulfanyl]acetate Traditional Name: 2-[(7-methoxy-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)thio]acetic acid ethyl ester Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=C(C=C2)OC)[N+](=N1)[O-]

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=C(C=C2)OC)[N+](=N1)[O-]

InChI

InChI=1S/C12H13N3O4S/c1-3-19-11(16)7-20-12-13-9-5-4-8(18-2)6-10(9)15(17)14-12/h4-6H,3,7H2,1-2H3