(6S,7R)-7-azaniumyl-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (6S,7R)-7-azaniumyl-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (6S,7R)-7-azaniumyl-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S,7R)-7-ammonio-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: (6S,7R)-7-azaniumyl-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S,7R)-7-ammonio-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C8H10N2O3S MolecularWeight: 214.2416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)[NH3+])SC1)C(=O)[O-]

Isomeric SMILES

CC1=C(N2[C@H]([C@@H](C2=O)[NH3+])SC1)C(=O)[O-]

InChI

InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)/t4-,7+/m1/s1