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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(3-chlorophenyl)methylsulfanyl]ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(3-chlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(3-chlorophenyl)methylthio]acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(3-chlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(3-chlorobenzyl)thio]acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CSCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H14ClN3O3S/c18-13-5-3-4-12(8-13)9-25-10-16(22)24-11-21-17(23)14-6-1-2-7-15(14)19-20-21/h1-8H,9-11H2