[2-[ethanoyl-(2-fluorophenyl)amino]-1,3-thiazol-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-[ethanoyl-(2-fluorophenyl)amino]-1,3-thiazol-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(N-acetyl-2-fluoro-anilino)thiazol-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-(N-acetyl-2-fluoroanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(N-acetyl-2-fluoro-anilino)thiazol-4-yl]methyl ester Formula: C21H18FN5O3S MolecularWeight: 439.462723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)N(C4=CC=CC=C4F)C(=O)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)N(C4=CC=CC=C4F)C(=O)C)N=N1

InChI

InChI=1S/C21H18FN5O3S/c1-3-26-19-9-8-14(10-17(19)24-25-26)20(29)30-11-15-12-31-21(23-15)27(13(2)28)18-7-5-4-6-16(18)22/h4-10,12H,3,11H2,1-2H3