7-azanyl-3-[[5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-[[5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[[5-(2-morpholino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[[5-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[[[5-[(2-keto-2-morpholino-ethyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H19N5O5S4 MolecularWeight: 489.61256

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NN=C(S2)SCC3=C(N4C(C(C4=O)N)SC3)C(=O)O

Isomeric SMILES

C1COCCN1C(=O)CSC2=NN=C(S2)SCC3=C(N4C(C(C4=O)N)SC3)C(=O)O

InChI

InChI=1S/C16H19N5O5S4/c17-10-12(23)21-11(14(24)25)8(5-27-13(10)21)6-28-15-18-19-16(30-15)29-7-9(22)20-1-3-26-4-2-20/h10,13H,1-7,17H2,(H,24,25)