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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-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-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 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-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)C4=CC=CS4

InChI

InChI=1S/C21H22N4O3S2/c1-2-25-19(16-9-6-12-29-16)23-24-21(25)30-13-17(26)28-18(14-7-4-3-5-8-14)20(27)22-15-10-11-15/h3-9,12,15,18H,2,10-11,13H2,1H3,(H,22,27)