tert-butyl 7-azanyl-8-oxidanylidene-3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 7-azanyl-8-oxidanylidene-3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-amino-8-oxo-3-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-8-oxo-3-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-amino-8-oxo-3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-[[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C14H18N4O3S4 MolecularWeight: 418.57772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2N)CSC3=NNC(=S)S3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2N)CSC3=NNC(=S)S3

InChI

InChI=1S/C14H18N4O3S4/c1-14(2,3)21-11(20)8-6(5-24-13-17-16-12(22)25-13)4-23-10-7(15)9(19)18(8)10/h7,10H,4-5,15H2,1-3H3,(H,16,22)