(6R,7R)-7-azanyl-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-azanyl-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-amino-3-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-amino-3-[[(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: (6R,7R)-7-amino-3-[(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: (6R,7R)-7-amino-8-keto-3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H15N5O3S2 MolecularWeight: 377.4413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC2=CC=NN2C(=C1)SCC3=C(N4[C@@H]([C@@H](C4=O)N)SC3)C(=O)O

InChI

InChI=1S/C15H15N5O3S2/c1-7-4-10(20-9(18-7)2-3-17-20)24-5-8-6-25-14-11(16)13(21)19(14)12(8)15(22)23/h2-4,11,14H,5-6,16H2,1H3,(H,22,23)/t11-,14-/m1/s1