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

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: (2-morpholino-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-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-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-keto-2-morpholino-ethyl) ester Formula: C16H17N3O4S3 MolecularWeight: 411.51888

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=S)S1)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCOCC3

Isomeric SMILES

CSC1=NN(C(=S)S1)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCOCC3

InChI

InChI=1S/C16H17N3O4S3/c1-25-15-17-19(16(24)26-15)12-4-2-11(3-5-12)14(21)23-10-13(20)18-6-8-22-9-7-18/h2-5H,6-10H2,1H3