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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (2-anilino-2-oxo-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-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 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-anilino-2-keto-ethyl) ester Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC(=O)NC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC(=O)NC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C18H18N4O3S2/c1-2-22-17(14-9-6-10-26-14)20-21-18(22)27-12-16(24)25-11-15(23)19-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,19,23)