6-[6-[[4-(bromomethyl)phenyl]methyl]-7-methylsulfanyl-imidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-[6-[[4-(bromomethyl)phenyl]methyl]-7-methylsulfanyl-imidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-[6-[[4-(bromomethyl)phenyl]methyl]-7-methylsulfanyl-imidazo[5,1-b]thiazol-6-ium-2-yl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[6-[[4-(bromomethyl)phenyl]methyl]-7-(methylthio)-2-imidazo[5,1-b]thiazol-6-iumyl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-[6-[[4-(bromomethyl)phenyl]methyl]-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-[6-[4-(bromomethyl)benzyl]-7-(methylthio)imidazo[5,1-b]thiazol-6-ium-2-yl]-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C24H25BrN3O4S2+ MolecularWeight: 563.507

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)(C3=CN4C=[N+](C(=C4S3)SC)CC5=CC=C(C=C5)CBr)C(C)O)C(=O)O

Isomeric SMILES

CC1C=C(N2C1C(C2=O)(C3=CN4C=[N+](C(=C4S3)SC)CC5=CC=C(C=C5)CBr)C(C)O)C(=O)O

InChI

InChI=1S/C24H24BrN3O4S2/c1-13-8-17(22(30)31)28-19(13)24(14(2)29,23(28)32)18-11-27-12-26(20(33-3)21(27)34-18)10-16-6-4-15(9-25)5-7-16/h4-8,11-14,19,29H,9-10H2,1-3H3/p+1