[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C20H14ClN3O3S MolecularWeight: 411.86146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H14ClN3O3S/c21-19-10-9-18(28-19)17(25)12-27-20(26)14-7-5-13(6-8-14)11-24-16-4-2-1-3-15(16)22-23-24/h1-10H,11-12H2