3-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-7-oxidanylidene-6-(2-oxidanylpropyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-7-oxidanylidene-6-(2-oxidanylpropyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(2-hydroxypropyl)-3-(7-methylsulfanylimidazo[5,1-b]thiazol-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(2-hydroxypropyl)-3-[7-(methylthio)-2-imidazo[5,1-b]thiazolyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(2-hydroxypropyl)-3-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(2-hydroxypropyl)-7-keto-3-[7-(methylthio)imidazo[5,1-b]thiazol-2-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1C2CC(=C(N2C1=O)C(=O)O)C3=CN4C=NC(=C4S3)SC)O

Isomeric SMILES

CC(CC1C2CC(=C(N2C1=O)C(=O)O)C3=CN4C=NC(=C4S3)SC)O

InChI

InChI=1S/C16H17N3O4S2/c1-7(20)3-8-10-4-9(12(16(22)23)19(10)14(8)21)11-5-18-6-17-13(24-2)15(18)25-11/h5-8,10,20H,3-4H2,1-2H3,(H,22,23)