[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C15H12ClN3O3S MolecularWeight: 349.79208

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(S3)Cl)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(S3)Cl)N=N1

InChI

InChI=1S/C15H12ClN3O3S/c1-2-19-11-4-3-9(7-10(11)17-18-19)15(21)22-8-12(20)13-5-6-14(16)23-13/h3-7H,2,8H2,1H3