7-azanyl-3-[(3-carboxy-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-[(3-carboxy-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(3-carboxy-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[(3-carboxy-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(3-carboxy-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-[[(3-carboxy-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H15N5O5S2 MolecularWeight: 421.4508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(=C1)SCC3=C(N4C(C(C4=O)N)SC3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=NC2=C(C=NN2C(=C1)SCC3=C(N4C(C(C4=O)N)SC3)C(=O)O)C(=O)O

InChI

InChI=1S/C16H15N5O5S2/c1-6-2-9(21-12(19-6)8(3-18-21)15(23)24)27-4-7-5-28-14-10(17)13(22)20(14)11(7)16(25)26/h2-3,10,14H,4-5,17H2,1H3,(H,23,24)(H,25,26)