2-[[5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[5-(2-morpholino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[5-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[5-[(2-keto-2-morpholino-ethyl)thio]-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Formula: C16H16N4O5S2 MolecularWeight: 408.45204

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1COCCN1C(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H16N4O5S2/c21-12(20-5-7-25-8-6-20)9-26-16-19-18-15(27-16)17-13(22)10-3-1-2-4-11(10)14(23)24/h1-4H,5-9H2,(H,23,24)(H,17,18,22)