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

Systemtic Name: 6-[6-(3-azanylpropyl)-3-methyl-7-methylsulfanyl-imidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-[6-(3-aminopropyl)-3-methyl-7-methylsulfanyl-imidazo[5,1-b]thiazol-6-ium-2-yl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[6-(3-aminopropyl)-3-methyl-7-(methylthio)-2-imidazo[5,1-b]thiazol-6-iumyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-[6-(3-aminopropyl)-3-methyl-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-[6-(3-aminopropyl)-3-methyl-7-(methylthio)imidazo[5,1-b]thiazol-6-ium-2-yl]-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C19H25N4O4S2+ MolecularWeight: 437.5562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C([N+](=CN12)CCCN)SC)C3(C4CC=C(N4C3=O)C(=O)O)C(C)O

Isomeric SMILES

CC1=C(SC2=C([N+](=CN12)CCCN)SC)C3(C4CC=C(N4C3=O)C(=O)O)C(C)O

InChI

InChI=1S/C19H24N4O4S2/c1-10-14(29-16-15(28-3)21(8-4-7-20)9-22(10)16)19(11(2)24)13-6-5-12(17(25)26)23(13)18(19)27/h5,9,11,13,24H,4,6-8,20H2,1-3H3/p+1