S-[2-oxidanylidene-2-[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl] ethanethioate

Systemtic Name: S-[2-oxidanylidene-2-[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl] ethanethioate Openeye Name: S-[2-oxo-2-[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl] ester IUPAC Name: S-[2-oxo-2-[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl] ester Formula: C13H13N3O3S2 MolecularWeight: 323.39062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC1=NN=C(S1)COC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC(=O)NC1=NN=C(S1)COC2=CC=CC=C2

InChI

InChI=1S/C13H13N3O3S2/c1-9(17)20-8-11(18)14-13-16-15-12(21-13)7-19-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,14,16,18)