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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-12-7-8-14(9-13(12)2)25-10-17(22)24-11-21-18(23)15-5-3-4-6-16(15)19-20-21/h3-9H,10-11H2,1-2H3