ethyl 2-[2-(6-chloranylbenzotriazol-1-yl)oxyethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(6-chloranylbenzotriazol-1-yl)oxyethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(6-chloro-1-benzotriazolyl)oxy]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H17ClN4O4S MolecularWeight: 408.85928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CON2C3=C(C=CC(=C3)Cl)N=N2)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CON2C3=C(C=CC(=C3)Cl)N=N2)C(=O)OCC

InChI

InChI=1S/C17H17ClN4O4S/c1-3-11-8-12(17(24)25-4-2)16(27-11)19-15(23)9-26-22-14-7-10(18)5-6-13(14)20-21-22/h5-8H,3-4,9H2,1-2H3,(H,19,23)