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

Systemtic Name: 6-[7-[1-(2-azanyl-2-oxidanylidene-ethyl)pyridin-1-ium-2-yl]carbonyl-5-methylsulfanyl-imidazo[5,1-b][1,3]thiazol-2-yl]-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-[7-[1-(2-amino-2-oxo-ethyl)pyridin-1-ium-2-carbonyl]-5-methylsulfanyl-imidazo[5,1-b]thiazol-2-yl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[7-[[1-(2-amino-2-oxoethyl)-2-pyridin-1-iumyl]-oxomethyl]-5-(methylthio)-2-imidazo[5,1-b]thiazolyl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-[7-[1-(2-amino-2-oxoethyl)pyridin-1-ium-2-carbonyl]-5-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-[7-[1-(2-amino-2-keto-ethyl)pyridin-1-ium-2-carbonyl]-5-(methylthio)imidazo[5,1-b]thiazol-2-yl]-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C24H24N5O6S2+ MolecularWeight: 542.60726

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)(C3=CN4C(=C(N=C4SC)C(=O)C5=CC=CC=[N+]5CC(=O)N)S3)C(C)O)C(=O)O

Isomeric SMILES

CC1C=C(N2C1C(C2=O)(C3=CN4C(=C(N=C4SC)C(=O)C5=CC=CC=[N+]5CC(=O)N)S3)C(C)O)C(=O)O

InChI

InChI=1S/C24H23N5O6S2/c1-11-8-14(21(33)34)29-19(11)24(12(2)30,22(29)35)15-9-28-20(37-15)17(26-23(28)36-3)18(32)13-6-4-5-7-27(13)10-16(25)31/h4-9,11-12,19,30H,10H2,1-3H3,(H2-,25,31,33,34)/p+1