8-(2-carboxyethylcarbamoyl)-1-(phenylcarbonyl)-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid

Systemtic Name: 8-(2-carboxyethylcarbamoyl)-1-(phenylcarbonyl)-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid Openeye Name: 1-benzoyl-8-(2-carboxyethylcarbamoyl)-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid CAS Name: 1-benzoyl-8-[(2-carboxyethylamino)-oxomethyl]-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid IUPAC Name: 1-benzoyl-8-(2-carboxyethylcarbamoyl)-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid Traditional Name: 1-benzoyl-8-(2-carboxyethylcarbamoyl)-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C(=O)NCCC(=O)O)N(C(CS2)C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC2(CCC1C(=O)NCCC(=O)O)N(C(CS2)C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O6S/c23-16(24)8-11-21-17(25)13-6-9-20(10-7-13)22(15(12-29-20)19(27)28)18(26)14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,21,25)(H,23,24)(H,27,28)