(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(thiophen-2-ylmethylsulfanyl)ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(thiophen-2-ylmethylsulfanyl)ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2-thienylmethylsulfanyl)acetate CAS Name: 2-(thiophen-2-ylmethylthio)acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(thiophen-2-ylmethylsulfanyl)acetate Traditional Name: 2-(2-thenylthio)acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C15H13N3O3S2 MolecularWeight: 347.41202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CSCC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CSCC3=CC=CS3

InChI

InChI=1S/C15H13N3O3S2/c19-14(9-22-8-11-4-3-7-23-11)21-10-18-15(20)12-5-1-2-6-13(12)16-17-18/h1-7H,8-10H2