6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-([1,3]thiazolo[4,5-d]pyrimidin-2-ylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-([1,3]thiazolo[4,5-d]pyrimidin-2-ylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-thiazolo[4,5-d]pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-(2-thiazolo[4,5-d]pyrimidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-([1,3]thiazolo[4,5-d]pyrimidin-2-ylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-3-(thiazolo[4,5-d]pyrimidin-2-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C15H14N4O4S2 MolecularWeight: 378.42606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3=NC4=NC=NC=C4S3)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC3=NC4=NC=NC=C4S3)C(=O)O)C(C)O

InChI

InChI=1S/C15H14N4O4S2/c1-5-9-8(6(2)20)13(21)19(9)10(14(22)23)11(5)25-15-18-12-7(24-15)3-16-4-17-12/h3-6,8-9,20H,1-2H3,(H,22,23)