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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC(=O)NCCCC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC(=O)NCCCC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C21H24N4O3S2/c1-2-25-20(17-11-7-13-29-17)23-24-21(25)30-15-19(27)28-14-18(26)22-12-6-10-16-8-4-3-5-9-16/h3-5,7-9,11,13H,2,6,10,12,14-15H2,1H3,(H,22,26)