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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2R)-2-(4-chlorophenyl)sulfanylpropanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2R)-2-(4-chlorophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-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 (2R)-2-(4-chlorophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-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:

CC(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN3O3S/c1-11(25-13-8-6-12(18)7-9-13)17(23)24-10-21-16(22)14-4-2-3-5-15(14)19-20-21/h2-9,11H,10H2,1H3/t11-/m1/s1