(6R,7R)-3-[[5-(aminocarbonylamino)imidazo[1,2-a]pyridin-4-ium-1-yl]methyl]-7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-ylidene)-2-nitroso-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (6R,7R)-3-[[5-(aminocarbonylamino)imidazo[1,2-a]pyridin-4-ium-1-yl]methyl]-7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-ylidene)-2-nitroso-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-8-oxo-3-[(5-ureidoimidazo[1,2-a]pyridin-4-ium-1-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-1-oxoethyl]amino]-3-[[5-(carbamoylamino)-1-imidazo[1,2-a]pyridin-4-iumyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: (6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitrosoacetyl]amino]-3-[[5-(carbamoylamino)imidazo[1,2-a]pyridin-4-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-8-keto-3-[(5-ureidoimidazo[1,2-a]pyridin-4-ium-1-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C20H18N10O6S2 MolecularWeight: 558.55032

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=C3NSC(=N3)N)N=O)C(=O)[O-])CN4C=C[N+]5=C4C=CC=C5NC(=O)N

Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=C/3\NSC(=N3)N)/N=O)C(=O)[O-])CN4C=C[N+]5=C4C=CC=C5NC(=O)N

InChI

InChI=1S/C20H18N10O6S2/c21-19(35)23-9-2-1-3-10-28(4-5-29(9)10)6-8-7-37-17-12(16(32)30(17)13(8)18(33)34)24-15(31)11(26-36)14-25-20(22)38-27-14/h1-5,12,17H,6-7H2,(H7,21,22,24,25,27,31,33,34,35,36)/t12-,17-/m1/s1