[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-[[3-ethoxycarbonyl-4-(2-furyl)-2-thienyl]amino]-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-[[3-ethoxycarbonyl-4-(2-furanyl)-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-[[3-carbethoxy-4-(2-furyl)-2-thienyl]amino]-2-keto-ethyl] ester Formula: C22H20N4O6S MolecularWeight: 468.4824

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C(=CS3)C4=CC=CO4)C(=O)OCC)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C(=CS3)C4=CC=CO4)C(=O)OCC)N=N1

InChI

InChI=1S/C22H20N4O6S/c1-3-26-16-8-7-13(10-15(16)24-25-26)21(28)32-11-18(27)23-20-19(22(29)30-4-2)14(12-33-20)17-6-5-9-31-17/h5-10,12H,3-4,11H2,1-2H3,(H,23,27)