sodium (4S,5R,6S)-4-methyl-3-(7-methylsulfonylimidazo[5,1-b][1,3]thiazol-2-yl)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium (4S,5R,6S)-4-methyl-3-(7-methylsulfonylimidazo[5,1-b][1,3]thiazol-2-yl)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-(7-methylsulfonylimidazo[5,1-b]thiazol-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-(7-methylsulfonyl-2-imidazo[5,1-b]thiazolyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-(7-methylsulfonylimidazo[5,1-b][1,3]thiazol-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-3-(7-mesylimidazo[5,1-b]thiazol-2-yl)-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C16H16N3NaO6S2 MolecularWeight: 433.43451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1C3=CN4C=NC(=C4S3)S(=O)(=O)C)C(=O)[O-])C(C)O.[Na+]

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1C3=CN4C=NC(=C4S3)S(=O)(=O)C)C(=O)[O-])[C@@H](C)O.[Na+]

InChI

InChI=1S/C16H17N3O6S2.Na/c1-6-9(8-4-18-5-17-13(15(18)26-8)27(3,24)25)12(16(22)23)19-11(6)10(7(2)20)14(19)21;/h4-7,10-11,20H,1-3H3,(H,22,23);/q;+1/p-1/t6-,7+,10+,11+;/m0./s1