6-[6-(1-ethanimidoylpyrrolidin-3-yl)-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-carboxylate

Systemtic Name: 6-[6-(1-ethanimidoylpyrrolidin-3-yl)-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-carboxylate Openeye Name: 6-[6-(1-ethanimidoylpyrrolidin-3-yl)-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-carboxylate CAS Name: 6-(1-hydroxyethyl)-6-[6-[1-(1-iminoethyl)-3-pyrrolidinyl]-7-(methylthio)-2-imidazo[5,1-b]thiazol-6-iumyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-[6-(1-ethanimidoylpyrrolidin-3-yl)-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-carboxylate Traditional Name: 6-[6-(1-acetimidoylpyrrolidin-3-yl)-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-carboxylate Formula: C22H27N5O4S2 MolecularWeight: 489.61088

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)(C3=CN4C=[N+](C(=C4S3)SC)C5CCN(C5)C(=N)C)C(C)O)C(=O)[O-]

Isomeric SMILES

CC1C=C(N2C1C(C2=O)(C3=CN4C=[N+](C(=C4S3)SC)C5CCN(C5)C(=N)C)C(C)O)C(=O)[O-]

InChI

InChI=1S/C22H27N5O4S2/c1-11-7-15(20(29)30)27-17(11)22(12(2)28,21(27)31)16-9-25-10-26(19(32-4)18(25)33-16)14-5-6-24(8-14)13(3)23/h7,9-12,14,17,23,28H,5-6,8H2,1-4H3