sodium (2S,5R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-thiazol-4-yl)carbonylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium (2S,5R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-thiazol-4-yl)carbonylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium (2S,5R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-isothiazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium (2S,5R)-3,3-dimethyl-6-[[(5-methyl-3-phenyl-4-isothiazolyl)-oxomethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium (2S,5R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-thiazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium (2S,5R)-7-keto-3,3-dimethyl-6-[(5-methyl-3-phenyl-isothiazole-4-carbonyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C19H18N3NaO4S2 MolecularWeight: 439.48369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NS1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=NS1)C2=CC=CC=C2)C(=O)NC3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H19N3O4S2.Na/c1-9-11(12(21-28-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)27-17(13)22;/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);/q;+1/p-1/t13?,14-,17+;/m0./s1