methyl 3-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate

Systemtic Name: methyl 3-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate Openeye Name: methyl 3-[2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethoxy]benzotriazole-5-carboxylate CAS Name: 3-[2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethoxy]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethoxy]benzotriazole-5-carboxylate Traditional Name: 3-[2-keto-2-[2-(p-tolylthio)ethylamino]ethoxy]benzotriazole-5-carboxylic acid methyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CON2C3=C(C=CC(=C3)C(=O)OC)N=N2

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CON2C3=C(C=CC(=C3)C(=O)OC)N=N2

InChI

InChI=1S/C19H20N4O4S/c1-13-3-6-15(7-4-13)28-10-9-20-18(24)12-27-23-17-11-14(19(25)26-2)5-8-16(17)21-22-23/h3-8,11H,9-10,12H2,1-2H3,(H,20,24)