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

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [2-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-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-keto-2-p-phenetyl-ethyl) ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S2/c1-3-23-19(17-6-5-11-28-17)21-22-20(23)29-13-18(25)27-12-16(24)14-7-9-15(10-8-14)26-4-2/h5-11H,3-4,12-13H2,1-2H3