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

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-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 [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-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-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H20N4O3S2 MolecularWeight: 440.5385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC(C)C(=O)C2=CNC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC(C)C(=O)C2=CNC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C21H20N4O3S2/c1-3-25-20(17-9-6-10-29-17)23-24-21(25)30-12-18(26)28-13(2)19(27)15-11-22-16-8-5-4-7-14(15)16/h4-11,13,22H,3,12H2,1-2H3