3-[(E)-3-(1-methylpyrrolidin-1-ium-1-yl)prop-1-enyl]-8-oxidanylidene-7-(2-phenylsulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-[(E)-3-(1-methylpyrrolidin-1-ium-1-yl)prop-1-enyl]-8-oxidanylidene-7-(2-phenylsulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-[(E)-3-(1-methylpyrrolidin-1-ium-1-yl)prop-1-enyl]-8-oxo-7-[(2-phenylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[(E)-3-(1-methyl-1-pyrrolidin-1-iumyl)prop-1-enyl]-8-oxo-7-[[1-oxo-2-(phenylthio)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-[(E)-3-(1-methylpyrrolidin-1-ium-1-yl)prop-1-enyl]-8-oxo-7-[(2-phenylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-[(E)-3-(1-methylpyrrolidin-1-ium-1-yl)prop-1-enyl]-7-[[2-(phenylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC=CC2=C(N3C(C(C3=O)NC(=O)CSC4=CC=CC=C4)SC2)C(=O)[O-]

Isomeric SMILES

C[N+]1(CCCC1)C/C=C/C2=C(N3C(C(C3=O)NC(=O)CSC4=CC=CC=C4)SC2)C(=O)[O-]

InChI

InChI=1S/C23H27N3O4S2/c1-26(11-5-6-12-26)13-7-8-16-14-32-22-19(21(28)25(22)20(16)23(29)30)24-18(27)15-31-17-9-3-2-4-10-17/h2-4,7-10,19,22H,5-6,11-15H2,1H3,(H-,24,27,29,30)/b8-7+