(4S,5R,6S)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[7-[1-[2-(sulfamoylamino)ethyl]pyridin-1-ium-3-yl]carbonylimidazo[5,1-b][1,3]thiazol-2-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4S,5R,6S)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[7-[1-[2-(sulfamoylamino)ethyl]pyridin-1-ium-3-yl]carbonylimidazo[5,1-b][1,3]thiazol-2-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[7-[1-[2-(sulfamoylamino)ethyl]pyridin-1-ium-3-carbonyl]imidazo[5,1-b]thiazol-2-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[7-[oxo-[1-[2-(sulfamoylamino)ethyl]-3-pyridin-1-iumyl]methyl]-2-imidazo[5,1-b]thiazolyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[7-[1-[2-(sulfamoylamino)ethyl]pyridin-1-ium-3-carbonyl]imidazo[5,1-b][1,3]thiazol-2-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-3-[7-[1-[2-(sulfamoylamino)ethyl]pyridin-1-ium-3-carbonyl]imidazo[5,1-b]thiazol-2-yl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C23H24N6O7S2 MolecularWeight: 560.60266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1C3=CN4C=NC(=C4S3)C(=O)C5=C[N+](=CC=C5)CCNS(=O)(=O)N)C(=O)[O-])C(C)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1C3=CN4C=NC(=C4S3)C(=O)C5=C[N+](=CC=C5)CCNS(=O)(=O)N)C(=O)[O-])[C@@H](C)O

InChI

InChI=1S/C23H24N6O7S2/c1-11-15(19(23(33)34)29-18(11)16(12(2)30)21(29)32)14-9-28-10-25-17(22(28)37-14)20(31)13-4-3-6-27(8-13)7-5-26-38(24,35)36/h3-4,6,8-12,16,18,26,30H,5,7H2,1-2H3,(H2-,24,33,34,35,36)/t11-,12+,16+,18+/m0/s1