6-[6-(2-azanyl-2-oxidanylidene-ethyl)-7-piperidin-4-ylsulfanyl-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-carboxylate

Systemtic Name: 6-[6-(2-azanyl-2-oxidanylidene-ethyl)-7-piperidin-4-ylsulfanyl-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-carboxylate Openeye Name: 6-[6-(2-amino-2-oxo-ethyl)-7-(4-piperidylsulfanyl)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-carboxylate CAS Name: 6-[6-(2-amino-2-oxoethyl)-7-(4-piperidinylthio)-2-imidazo[5,1-b]thiazol-6-iumyl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-[6-(2-amino-2-oxoethyl)-7-piperidin-4-ylsulfanylimidazo[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-carboxylate Traditional Name: 6-[6-(2-amino-2-keto-ethyl)-7-(4-piperidylthio)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-carboxylate Formula: C22H27N5O5S2 MolecularWeight: 505.61028

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)(C3=CN4C=[N+](C(=C4S3)SC5CCNCC5)CC(=O)N)C(C)O)C(=O)[O-]

Isomeric SMILES

CC1C=C(N2C1C(C2=O)(C3=CN4C=[N+](C(=C4S3)SC5CCNCC5)CC(=O)N)C(C)O)C(=O)[O-]

InChI

InChI=1S/C22H27N5O5S2/c1-11-7-14(20(30)31)27-17(11)22(12(2)28,21(27)32)15-8-25-10-26(9-16(23)29)18(19(25)34-15)33-13-3-5-24-6-4-13/h7-8,10-13,17,24,28H,3-6,9H2,1-2H3,(H2-,23,29,30,31)