(6S,7R)-7-azaniumyl-3-(methoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-4-carboxylate

Systemtic Name: (6S,7R)-7-azaniumyl-3-(methoxymethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-4-carboxylate Openeye Name: (6S,7R)-7-azaniumyl-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-4-carboxylate CAS Name: (6S,7R)-7-ammonio-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-4-carboxylate IUPAC Name: (6S,7R)-7-azaniumyl-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-4-carboxylate Traditional Name: (6S,7R)-7-ammonio-8-keto-3-(methoxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-4-carboxylate Formula: C9H12N2O4S MolecularWeight: 244.26758

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2C(C(=O)N2C1)[NH3+])C(=O)[O-]

Isomeric SMILES

COCC1=C(S[C@H]2[C@@H](C(=O)N2C1)[NH3+])C(=O)[O-]

InChI

InChI=1S/C9H12N2O4S/c1-15-3-4-2-11-7(12)5(10)8(11)16-6(4)9(13)14/h5,8H,2-3,10H2,1H3,(H,13,14)/t5-,8+/m1/s1