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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)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-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)C

InChI

InChI=1S/C19H19N3O3S/c1-13-7-8-15(11-14(13)2)26-10-9-18(23)25-12-22-19(24)16-5-3-4-6-17(16)20-21-22/h3-8,11H,9-10,12H2,1-2H3