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

Systemtic Name: sodium (2S,5R,6R)-6-[[1-(4-bromophenyl)cyclopentyl]carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium (2S,5R,6R)-6-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium (2S,5R,6R)-6-[[[1-(4-bromophenyl)cyclopentyl]-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium (2S,5R,6R)-6-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium (2S,5R,6R)-6-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C20H22BrN2NaO4S MolecularWeight: 489.35845

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C3(CCCC3)C4=CC=C(C=C4)Br)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3(CCCC3)C4=CC=C(C=C4)Br)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C20H23BrN2O4S.Na/c1-19(2)14(17(25)26)23-15(24)13(16(23)28-19)22-18(27)20(9-3-4-10-20)11-5-7-12(21)8-6-11;/h5-8,13-14,16H,3-4,9-10H2,1-2H3,(H,22,27)(H,25,26);/q;+1/p-1/t13-,14+,16-;/m1./s1