7-(2-naphthalen-2-ylsulfanylethanoylamino)-8-oxidanylidene-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-(2-naphthalen-2-ylsulfanylethanoylamino)-8-oxidanylidene-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[2-(2-naphthylsulfanyl)acetyl]amino]-8-oxo-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[2-(2-naphthalenylthio)-1-oxoethyl]amino]-8-oxo-3-[(E)-3-(1-pyridin-1-iumyl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[(2-naphthalen-2-ylsulfanylacetyl)amino]-8-oxo-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[[2-(2-naphthylthio)acetyl]amino]-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C27H23N3O4S2 MolecularWeight: 517.61922

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CSC3=CC4=CC=CC=C4C=C3)C(=O)[O-])C=CC[N+]5=CC=CC=C5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CSC3=CC4=CC=CC=C4C=C3)C(=O)[O-])/C=C/C[N+]5=CC=CC=C5

InChI

InChI=1S/C27H23N3O4S2/c31-22(17-35-21-11-10-18-7-2-3-8-19(18)15-21)28-23-25(32)30-24(27(33)34)20(16-36-26(23)30)9-6-14-29-12-4-1-5-13-29/h1-13,15,23,26H,14,16-17H2,(H-,28,31,33,34)/b9-6+