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

Systemtic Name: 8-oxidanylidene-4-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 8-oxo-4-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-4-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 8-oxo-4-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-4-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H13N2O4S- MolecularWeight: 317.33972

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=CC(S2)NC(=O)CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C2N(C1=O)C(=CC(S2)NC(=O)CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C15H14N2O4S/c18-11(6-9-4-2-1-3-5-9)16-12-7-10(15(20)21)17-13(19)8-14(17)22-12/h1-5,7,12,14H,6,8H2,(H,16,18)(H,20,21)/p-1