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

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: [2-(cyclooctylamino)-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-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-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-(cyclooctylamino)-2-keto-ethyl] ester Formula: C20H25N3O3S3 MolecularWeight: 451.6258

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=S)S1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCCCCC3

Isomeric SMILES

CSC1=NN(C(=S)S1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCCCCC3

InChI

InChI=1S/C20H25N3O3S3/c1-28-19-22-23(20(27)29-19)16-11-9-14(10-12-16)18(25)26-13-17(24)21-15-7-5-3-2-4-6-8-15/h9-12,15H,2-8,13H2,1H3,(H,21,24)