[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C21H19N5O3S2 MolecularWeight: 453.53726

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC(=O)NC2=CC=CC3=C2C=CC=N3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC(=O)NC2=CC=CC3=C2C=CC=N3)C4=CC=CS4

InChI

InChI=1S/C21H19N5O3S2/c1-2-26-20(17-9-5-11-30-17)24-25-21(26)31-13-19(28)29-12-18(27)23-16-8-3-7-15-14(16)6-4-10-22-15/h3-11H,2,12-13H2,1H3,(H,23,27)