ethyl 7-azanyl-8-oxidanylidene-3-(2H-1,2,3-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: ethyl 7-azanyl-8-oxidanylidene-3-(2H-1,2,3-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: ethyl 7-amino-8-oxo-3-(2H-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-8-oxo-3-[(2H-triazol-4-ylthio)methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-amino-8-oxo-3-(2H-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-[(2H-triazol-4-ylthio)methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ethyl ester Formula: C12H15N5O3S3 MolecularWeight: 373.4742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CSC2N1C(=O)C2N)SCSC3=NNN=C3

Isomeric SMILES

CCOC(=O)C1=C(CSC2N1C(=O)C2N)SCSC3=NNN=C3

InChI

InChI=1S/C12H15N5O3S3/c1-2-20-12(19)9-6(22-5-23-7-3-14-16-15-7)4-21-11-8(13)10(18)17(9)11/h3,8,11H,2,4-5,13H2,1H3,(H,14,15,16)