methyl 3-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethoxy]benzotriazole-5-carboxylate

Systemtic Name: methyl 3-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethoxy]benzotriazole-5-carboxylate Openeye Name: methyl 3-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzotriazole-5-carboxylate CAS Name: 3-[2-oxo-2-[2-(phenylthio)ethylamino]ethoxy]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzotriazole-5-carboxylate Traditional Name: 3-[2-keto-2-[2-(phenylthio)ethylamino]ethoxy]benzotriazole-5-carboxylic acid methyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O4S/c1-25-18(24)13-7-8-15-16(11-13)22(21-20-15)26-12-17(23)19-9-10-27-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,19,23)