7-(2-naphthalen-2-ylsulfanylethanoylamino)-8-oxidanylidene-3-[(E)-3-(3-oxidanylpyridin-1-ium-1-yl)prop-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-(3-oxidanylpyridin-1-ium-1-yl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-[(E)-3-(3-hydroxypyridin-1-ium-1-yl)prop-1-enyl]-7-[[2-(2-naphthylsulfanyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[(E)-3-(3-hydroxy-1-pyridin-1-iumyl)prop-1-enyl]-7-[[2-(2-naphthalenylthio)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-[(E)-3-(3-hydroxypyridin-1-ium-1-yl)prop-1-enyl]-7-[(2-naphthalen-2-ylsulfanylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[(E)-3-(3-hydroxypyridin-1-ium-1-yl)prop-1-enyl]-8-keto-7-[[2-(2-naphthylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C27H23N3O5S2 MolecularWeight: 533.61862

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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)O

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)O

InChI

InChI=1S/C27H23N3O5S2/c31-20-8-4-12-29(14-20)11-3-7-19-15-37-26-23(25(33)30(26)24(19)27(34)35)28-22(32)16-36-21-10-9-17-5-1-2-6-18(17)13-21/h1-10,12-14,23,26H,11,15-16H2,(H2-,28,31,32,34,35)/b7-3+