[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)C4=CC(=C(C=C4)OCC)OC)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)C4=CC(=C(C=C4)OCC)OC)N=N1

InChI

InChI=1S/C22H22N4O4S/c1-4-26-18-8-6-15(10-17(18)24-25-26)22(27)30-12-16-13-31-21(23-16)14-7-9-19(29-5-2)20(11-14)28-3/h6-11,13H,4-5,12H2,1-3H3