7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-ylidene)-2-nitroso-ethanoyl]amino]-3-[2-[2-[bis(azanyl)methylideneamino]ethylsulfanylmethyl]pyridin-3-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-ylidene)-2-nitroso-ethanoyl]amino]-3-[2-[2-[bis(azanyl)methylideneamino]ethylsulfanylmethyl]pyridin-3-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-3-[[2-(2-guanidinoethylsulfanylmethyl)-3-pyridyl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-1-oxoethyl]amino]-3-[[2-[[2-(diaminomethylideneamino)ethylthio]methyl]-3-pyridinyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitrosoacetyl]amino]-3-[2-[2-(diaminomethylideneamino)ethylsulfanylmethyl]pyridin-3-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-3-[[2-[(2-guanidinoethylthio)methyl]-3-pyridyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C20H21N10O5S4- MolecularWeight: 609.70474

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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-])SC4=C(N=CC=C4)CSCCN=C(N)N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=C/3\NSC(=N3)N)/N=O)C(=O)[O-])SC4=C(N=CC=C4)CSCCN=C(N)N

InChI

InChI=1S/C20H22N10O5S4/c21-19(22)25-4-5-36-6-8-9(2-1-3-24-8)38-10-7-37-17-12(16(32)30(17)13(10)18(33)34)26-15(31)11(28-35)14-27-20(23)39-29-14/h1-3,12,17,29H,4-7H2,(H2,23,27)(H,26,31)(H,33,34)(H4,21,22,25)/p-1/b14-11+