(4R,5S,6S)-3-[6-[[1-(2-hydroxyethyl)-1,4-diazoniabicyclo[2.2.2]octan-4-yl]methyl]thieno[3,2-d][1,3]thiazol-2-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4R,5S,6S)-3-[6-[[1-(2-hydroxyethyl)-1,4-diazoniabicyclo[2.2.2]octan-4-yl]methyl]thieno[3,2-d][1,3]thiazol-2-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[6-[[1-(2-hydroxyethyl)-1,4-diazoniabicyclo[2.2.2]octan-4-yl]methyl]thieno[3,2-d]thiazol-2-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[[6-[[1-(2-hydroxyethyl)-1,4-diazoniabicyclo[2.2.2]octan-4-yl]methyl]-2-thieno[3,2-d]thiazolyl]thio]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[6-[[1-(2-hydroxyethyl)-1,4-diazoniabicyclo[2.2.2]octan-4-yl]methyl]thieno[3,2-d][1,3]thiazol-2-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[[6-[[1-(2-hydroxyethyl)-1,4-diazoniabicyclo[2.2.2]octan-4-yl]methyl]thieno[3,2-d]thiazol-2-yl]thio]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C24H31N4O5S3+ MolecularWeight: 551.72174

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3=NC4=C(S3)SC=C4C[N+]56CC[N+](CC5)(CC6)CCO)C(=O)[O-])C(C)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3=NC4=C(S3)SC=C4C[N+]56CC[N+](CC5)(CC6)CCO)C(=O)[O-])[C@@H](C)O

InChI

InChI=1S/C24H31N4O5S3/c1-13-18-16(14(2)30)21(31)26(18)19(22(32)33)20(13)35-24-25-17-15(12-34-23(17)36-24)11-28-6-3-27(4-7-28,5-8-28)9-10-29/h12-14,16,18,29-30H,3-11H2,1-2H3/q+1/t13-,14-,16-,18-,27?,28?/m1/s1