(4-methoxyphenyl)methyl (6S)-7-azanyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (6S)-7-azanyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl (6S)-7-amino-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S)-7-amino-3-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (6S)-7-amino-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S)-7-amino-8-keto-3-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C22H22N6O4S2 MolecularWeight: 498.57788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC=NN2C(=C1)SCC3=C(N4C(C(C4=O)N)SC3)C(=O)OCC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=NC2=NC=NN2C(=C1)SCC3=C(N4[C@H](C(C4=O)N)SC3)C(=O)OCC5=CC=C(C=C5)OC

InChI

InChI=1S/C22H22N6O4S2/c1-12-7-16(28-22(26-12)24-11-25-28)33-9-14-10-34-20-17(23)19(29)27(20)18(14)21(30)32-8-13-3-5-15(31-2)6-4-13/h3-7,11,17,20H,8-10,23H2,1-2H3/t17?,20-/m0/s1