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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-phenylsulfanylpropanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H15N3O3S/c21-16(10-11-24-13-6-2-1-3-7-13)23-12-20-17(22)14-8-4-5-9-15(14)18-19-20/h1-9H,10-12H2