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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [2-(azepan-1-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-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-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-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H26N4O3S2 MolecularWeight: 422.56474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC(C)C(=O)N2CCCCCC2)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC(C)C(=O)N2CCCCCC2)C3=CC=CS3

InChI

InChI=1S/C19H26N4O3S2/c1-3-23-17(15-9-8-12-27-15)20-21-19(23)28-13-16(24)26-14(2)18(25)22-10-6-4-5-7-11-22/h8-9,12,14H,3-7,10-11,13H2,1-2H3