3-cyclopropyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-cyclopropyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-cyclopropyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-cyclopropyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-cyclopropyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-cyclopropyl-8-keto-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C18H17N2O5S- MolecularWeight: 373.40298

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(N3C(C(C3=O)NC(=O)COC4=CC=CC=C4)SC2)C(=O)[O-]

Isomeric SMILES

C1CC1C2=C(N3C(C(C3=O)NC(=O)COC4=CC=CC=C4)SC2)C(=O)[O-]

InChI

InChI=1S/C18H18N2O5S/c21-13(8-25-11-4-2-1-3-5-11)19-14-16(22)20-15(18(23)24)12(10-6-7-10)9-26-17(14)20/h1-5,10,14,17H,6-9H2,(H,19,21)(H,23,24)/p-1