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

Systemtic Name: 8-oxidanylidene-3-[(E)-3-(3-oxidanylpyridin-1-ium-1-yl)prop-1-enyl]-7-(2-phenylsulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(E)-3-(3-hydroxypyridin-1-ium-1-yl)prop-1-enyl]-8-oxo-7-[(2-phenylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(E)-3-(3-hydroxy-1-pyridin-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-carboxylic acid IUPAC Name: 3-[(E)-3-(3-hydroxypyridin-1-ium-1-yl)prop-1-enyl]-8-oxo-7-[(2-phenylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(E)-3-(3-hydroxypyridin-1-ium-1-yl)prop-1-enyl]-8-keto-7-[[2-(phenylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H22N3O5S2+ MolecularWeight: 484.56788

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CSC3=CC=CC=C3)C(=O)O)C=CC[N+]4=CC=CC(=C4)O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CSC3=CC=CC=C3)C(=O)O)/C=C/C[N+]4=CC=CC(=C4)O

InChI

InChI=1S/C23H21N3O5S2/c27-16-7-5-11-25(12-16)10-4-6-15-13-33-22-19(21(29)26(22)20(15)23(30)31)24-18(28)14-32-17-8-2-1-3-9-17/h1-9,11-12,19,22H,10,13-14H2,(H2-,24,27,28,30,31)/p+1/b6-4+