7-[[2-[carboxy-(4-oxidanylidene-1H-1,5-naphthyridin-3-yl)amino]-2-(4-hydroxyphenyl)ethanoyl]amino]-7-methoxy-8-oxidanylidene-3-(2H-1,2,3-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[2-[carboxy-(4-oxidanylidene-1H-1,5-naphthyridin-3-yl)amino]-2-(4-hydroxyphenyl)ethanoyl]amino]-7-methoxy-8-oxidanylidene-3-(2H-1,2,3-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-[carboxy-(4-oxo-1H-1,5-naphthyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[carboxy-(4-oxo-1H-1,5-naphthyridin-3-yl)amino]-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-7-methoxy-8-oxo-3-[(2H-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-[carboxy-(4-oxo-1H-1,5-naphthyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-[carboxy-(4-keto-1H-1,5-naphthyridin-3-yl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-8-keto-7-methoxy-3-[(2H-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C28H24N8O9S2 MolecularWeight: 680.66836

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)CSC3=NNN=C3)C(=O)O)NC(=O)C(C4=CC=C(C=C4)O)N(C5=CNC6=C(C5=O)N=CC=C6)C(=O)O

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)CSC3=NNN=C3)C(=O)O)NC(=O)C(C4=CC=C(C=C4)O)N(C5=CNC6=C(C5=O)N=CC=C6)C(=O)O

InChI

InChI=1S/C28H24N8O9S2/c1-45-28(25(42)36-21(24(40)41)14(12-47-26(28)36)11-46-18-10-31-34-33-18)32-23(39)20(13-4-6-15(37)7-5-13)35(27(43)44)17-9-30-16-3-2-8-29-19(16)22(17)38/h2-10,20,26,37H,11-12H2,1H3,(H,30,38)(H,32,39)(H,40,41)(H,43,44)(H,31,33,34)