sodium (5S)-3-[(2-aminophenyl)methyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium (5S)-3-[(2-aminophenyl)methyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium (5S)-3-[(2-aminophenyl)methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium (5S)-3-[(2-aminophenyl)methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium (5S)-3-[(2-aminophenyl)methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium (5S)-3-(2-aminobenzyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H11N2NaO3S MolecularWeight: 298.29281

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(S2)CC3=CC=CC=C3N)C(=O)[O-].[Na+]

Isomeric SMILES

C1[C@H]2N(C1=O)C(=C(S2)CC3=CC=CC=C3N)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H12N2O3S.Na/c14-8-4-2-1-3-7(8)5-9-12(13(17)18)15-10(16)6-11(15)19-9;/h1-4,11H,5-6,14H2,(H,17,18);/q;+1/p-1/t11-;/m0./s1