6-[6-(2-azanyl-2-oxidanylidene-ethyl)-7-(pyridin-2-ylmethylsulfanyl)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-(2-azanyl-2-oxidanylidene-ethyl)-7-(pyridin-2-ylmethylsulfanyl)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-(2-amino-2-oxo-ethyl)-7-(2-pyridylmethylsulfanyl)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-(2-amino-2-oxoethyl)-7-(2-pyridinylmethylthio)-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-(2-amino-2-oxoethyl)-7-(pyridin-2-ylmethylsulfanyl)imidazo[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-(2-amino-2-keto-ethyl)-7-(2-pyridylmethylthio)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: C23H24N5O5S2+ MolecularWeight: 514.59716

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)(C3=CN4C=[N+](C(=C4S3)SCC5=CC=CC=N5)CC(=O)N)C(C)O)C(=O)O

Isomeric SMILES

CC1C=C(N2C1C(C2=O)(C3=CN4C=[N+](C(=C4S3)SCC5=CC=CC=N5)CC(=O)N)C(C)O)C(=O)O

InChI

InChI=1S/C23H23N5O5S2/c1-12-7-15(21(31)32)28-18(12)23(13(2)29,22(28)33)16-8-26-11-27(9-17(24)30)19(20(26)35-16)34-10-14-5-3-4-6-25-14/h3-8,11-13,18,29H,9-10H2,1-2H3,(H2-,24,30,31,32)/p+1