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

Systemtic Name: ethyl 7-azanyl-8-oxidanylidene-3-(1,2,3-thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: ethyl 7-amino-8-oxo-3-(thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-8-oxo-3-[(5-thiadiazolylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-amino-8-oxo-3-(thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-[(thiadiazol-5-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ethyl ester Formula: C12H14N4O3S3 MolecularWeight: 358.45956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CSC2N1C(=O)C2N)CSC3=CN=NS3

Isomeric SMILES

CCOC(=O)C1=C(CSC2N1C(=O)C2N)CSC3=CN=NS3

InChI

InChI=1S/C12H14N4O3S3/c1-2-19-12(18)9-6(4-20-7-3-14-15-22-7)5-21-11-8(13)10(17)16(9)11/h3,8,11H,2,4-5,13H2,1H3