4-[(3-cyanophenoxy)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 4-[(3-cyanophenoxy)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 4-[(3-cyanophenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 4-[(3-cyanophenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 4-[(3-cyanophenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 4-[(3-cyanophenoxy)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H11N2O4S- MolecularWeight: 315.32384

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=CC(S2)COC3=CC=CC(=C3)C#N)C(=O)[O-]

Isomeric SMILES

C1C2N(C1=O)C(=CC(S2)COC3=CC=CC(=C3)C#N)C(=O)[O-]

InChI

InChI=1S/C15H12N2O4S/c16-7-9-2-1-3-10(4-9)21-8-11-5-12(15(19)20)17-13(18)6-14(17)22-11/h1-5,11,14H,6,8H2,(H,19,20)/p-1