3-[(5-aminocarbonyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-7-[2-[2-[(1-oxidanyl-5-pyrazol-1-yl-1,3,5-triazine-1,5-diium-2-yl)carbonylamino]phenyl]ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(5-aminocarbonyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-7-[2-[2-[(1-oxidanyl-5-pyrazol-1-yl-1,3,5-triazine-1,5-diium-2-yl)carbonylamino]phenyl]ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(5-carbamoyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-[[2-[2-[(1-hydroxy-5-pyrazol-1-yl-1,3,5-triazine-1,5-diium-2-carbonyl)amino]phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[(5-carbamoyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-[[2-[2-[[[1-hydroxy-5-(1-pyrazolyl)-1,3,5-triazine-1,5-diium-2-yl]-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(5-carbamoyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-[[2-[2-[(1-hydroxy-5-pyrazol-1-yl-1,3,5-triazine-1,5-diium-2-carbonyl)amino]phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[(5-carbamoyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-[[2-[2-[(1-hydroxy-5-pyrazol-1-yl-s-triazine-1,5-diium-2-carbonyl)amino]phenyl]acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C26H23N11O7S3+2 MolecularWeight: 697.72532

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3NC(=O)C4=[N+](C=[N+](C=N4)N5C=CC=N5)O)C(=O)O)CSC6=NN=C(S6)C(=O)N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3NC(=O)C4=[N+](C=[N+](C=N4)N5C=CC=N5)O)C(=O)O)CSC6=NN=C(S6)C(=O)N

InChI

InChI=1S/C26H21N11O7S3/c27-19(39)22-32-33-26(47-22)46-10-14-9-45-24-17(23(41)37(24)18(14)25(42)43)31-16(38)8-13-4-1-2-5-15(13)30-21(40)20-28-11-34(12-35(20)44)36-7-3-6-29-36/h1-7,11-12,17,24H,8-10H2,(H4-2,27,30,31,38,39,40,42,43,44)/p+2