sodium (1R,4R,5R)-1',3'-bis(oxidanylidene)-4-phenyl-5-[[4-(1,2,3-thiadiazol-4-yl)phenyl]carbamoyl]spiro[cyclopentane-2,2'-indene]-1-carboxylate

Systemtic Name: sodium (1R,4R,5R)-1',3'-bis(oxidanylidene)-4-phenyl-5-[[4-(1,2,3-thiadiazol-4-yl)phenyl]carbamoyl]spiro[cyclopentane-2,2'-indene]-1-carboxylate Openeye Name: sodium (1R,4R,5R)-1',3'-dioxo-4-phenyl-5-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]spiro[cyclopentane-2,2'-indane]-1-carboxylate CAS Name: sodium (1R,4R,5R)-1',3'-dioxo-5-[oxo-[4-(4-thiadiazolyl)anilino]methyl]-4-phenyl-1-spiro[cyclopentane-2,2'-indene]carboxylate IUPAC Name: sodium (1R,4R,5R)-1',3'-dioxo-4-phenyl-5-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]spiro[cyclopentane-2,2'-indene]-1-carboxylate Traditional Name: sodium (1R,4R,5R)-1',3'-diketo-4-phenyl-5-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]spiro[cyclopentane-2,2'-indane]-1-carboxylate Formula: C29H20N3NaO5S MolecularWeight: 545.54097

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C12C(=O)C3=CC=CC=C3C2=O)C(=O)[O-])C(=O)NC4=CC=C(C=C4)C5=CSN=N5)C6=CC=CC=C6.[Na+]

Isomeric SMILES

C1[C@H]([C@H]([C@H](C12C(=O)C3=CC=CC=C3C2=O)C(=O)[O-])C(=O)NC4=CC=C(C=C4)C5=CSN=N5)C6=CC=CC=C6.[Na+]

InChI

InChI=1S/C29H21N3O5S.Na/c33-25-19-8-4-5-9-20(19)26(34)29(25)14-21(16-6-2-1-3-7-16)23(24(29)28(36)37)27(35)30-18-12-10-17(11-13-18)22-15-38-32-31-22;/h1-13,15,21,23-24H,14H2,(H,30,35)(H,36,37);/q;+1/p-1/t21-,23+,24-;/m0./s1