(6R,7R)-3-[(E)-2-[(6-azanyl-2-oxidanylidene-1H-pyrimidin-4-yl)sulfanyl]ethenyl]-7-[[(2Z)-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-carboxylic acid

Systemtic Name: (6R,7R)-3-[(E)-2-[(6-azanyl-2-oxidanylidene-1H-pyrimidin-4-yl)sulfanyl]ethenyl]-7-[[(2Z)-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-carboxylic acid Openeye Name: (6R,7R)-3-[(E)-2-[(6-amino-2-oxo-1H-pyrimidin-4-yl)sulfanyl]vinyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-3-[(E)-2-[(6-amino-2-oxo-1H-pyrimidin-4-yl)thio]ethenyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-3-[(E)-2-[(6-amino-2-oxo-1H-pyrimidin-4-yl)sulfanyl]ethenyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitrosoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-3-[(E)-2-[(6-amino-2-keto-1H-pyrimidin-4-yl)thio]vinyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H15N9O6S3 MolecularWeight: 537.5527

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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)C=CSC4=NC(=O)NC(=C4)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)/C=C/SC4=NC(=O)NC(=C4)N

InChI

InChI=1S/C17H15N9O6S3/c18-6-3-7(21-17(31)20-6)33-2-1-5-4-34-14-9(13(28)26(14)10(5)15(29)30)22-12(27)8(24-32)11-23-16(19)35-25-11/h1-3,9,14,25H,4H2,(H2,19,23)(H,22,27)(H,29,30)(H3,18,20,21,31)/b2-1+,11-8-/t9-,14-/m1/s1