[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 4-(5-methylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)benzoate CAS Name: 4-[5-(methylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Traditional Name: 4-[5-(methylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]benzoic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C19H23N3O3S3 MolecularWeight: 437.59922

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SC)C

Isomeric SMILES

CC1CCCC(N1C(=O)COC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SC)C

InChI

InChI=1S/C19H23N3O3S3/c1-12-5-4-6-13(2)21(12)16(23)11-25-17(24)14-7-9-15(10-8-14)22-19(26)28-18(20-22)27-3/h7-10,12-13H,4-6,11H2,1-3H3