7-azanyl-7-methoxy-8-oxidanylidene-3-(1,2,3-thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-7-methoxy-8-oxidanylidene-3-(1,2,3-thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-7-methoxy-8-oxo-3-(thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-7-methoxy-8-oxo-3-[(5-thiadiazolylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-7-methoxy-8-oxo-3-(thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-7-methoxy-3-[(thiadiazol-5-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H12N4O4S3 MolecularWeight: 360.43238

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)CSC3=CN=NS3)C(=O)O)N

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)CSC3=CN=NS3)C(=O)O)N

InChI

InChI=1S/C11H12N4O4S3/c1-19-11(12)9(18)15-7(8(16)17)5(4-21-10(11)15)3-20-6-2-13-14-22-6/h2,10H,3-4,12H2,1H3,(H,16,17)