3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]sulfanyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]sulfanyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-[(E)-3-methoxy-3-oxo-prop-1-enyl]sulfanyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[[(E)-3-methoxy-3-oxoprop-1-enyl]thio]-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-[(E)-3-methoxy-3-oxoprop-1-enyl]sulfanyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-[[(E)-3-keto-3-methoxy-prop-1-enyl]thio]-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C19H17N2O7S2- MolecularWeight: 449.47748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CSC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)[O-]

Isomeric SMILES

COC(=O)/C=C/SC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)[O-]

InChI

InChI=1S/C19H18N2O7S2/c1-27-14(23)7-8-29-12-10-30-18-15(17(24)21(18)16(12)19(25)26)20-13(22)9-28-11-5-3-2-4-6-11/h2-8,15,18H,9-10H2,1H3,(H,20,22)(H,25,26)/p-1/b8-7+