7-(2-naphthalen-2-ylsulfanylethanoylamino)-8-oxidanylidene-3-[(E)-3-quinolin-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-quinolin-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-quinolin-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-quinolin-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-quinolin-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-quinolin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C31H25N3O4S2 MolecularWeight: 567.6779

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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=CC6=CC=CC=C65

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=CC6=CC=CC=C65

InChI

InChI=1S/C31H25N3O4S2/c35-26(19-39-24-14-13-20-7-1-2-9-22(20)17-24)32-27-29(36)34-28(31(37)38)23(18-40-30(27)34)11-6-16-33-15-5-10-21-8-3-4-12-25(21)33/h1-15,17,27,30H,16,18-19H2,(H-,32,35,37,38)/b11-6+