propan-2-yl 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: propan-2-yl 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: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C13H17N5O3S3 MolecularWeight: 387.50078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(CSC2N1C(=O)C2N)SCSC3=NNN=C3

Isomeric SMILES

CC(C)OC(=O)C1=C(CSC2N1C(=O)C2N)SCSC3=NNN=C3

InChI

InChI=1S/C13H17N5O3S3/c1-6(2)21-13(20)10-7(23-5-24-8-3-15-17-16-8)4-22-12-9(14)11(19)18(10)12/h3,6,9,12H,4-5,14H2,1-2H3,(H,15,16,17)