sodium 7-oxidanylidene-3-(phenylmethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium 7-oxidanylidene-3-(phenylmethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-benzyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 7-oxo-3-(phenylmethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-benzyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 3-benzyl-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H10NNaO3S MolecularWeight: 283.27817

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(S2)CC3=CC=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

C1C2N(C1=O)C(=C(S2)CC3=CC=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H11NO3S.Na/c15-10-7-11-14(10)12(13(16)17)9(18-11)6-8-4-2-1-3-5-8;/h1-5,11H,6-7H2,(H,16,17);/q;+1/p-1