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

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)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 [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 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-1-methyl-2-(phenethylamino)ethyl] ester Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC(C)C(=O)NCCC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC(C)C(=O)NCCC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C21H24N4O3S2/c1-3-25-19(17-10-7-13-29-17)23-24-21(25)30-14-18(26)28-15(2)20(27)22-12-11-16-8-5-4-6-9-16/h4-10,13,15H,3,11-12,14H2,1-2H3,(H,22,27)