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

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C16H19N3O3S3 MolecularWeight: 397.53536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NN=C(S2)SCC(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

C1CCC(CC1)NC2=NN=C(S2)SCC(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C16H19N3O3S3/c20-12(13-7-4-8-23-13)9-22-14(21)10-24-16-19-18-15(25-16)17-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,17,18)