(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)sulfanylpropanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)sulfanylpropanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(2-chlorophenyl)thio]propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(2-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(2-chlorophenyl)thio]propionic 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)CCSC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCSC3=CC=CC=C3Cl

InChI

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