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

Systemtic Name: 8-(4-methylsulfanylphenoxy)-1-(phenylcarbonyl)-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid Openeye Name: 1-benzoyl-8-(4-methylsulfanylphenoxy)-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid CAS Name: 1-benzoyl-8-[4-(methylthio)phenoxy]-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid IUPAC Name: 1-benzoyl-8-(4-methylsulfanylphenoxy)-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid Traditional Name: 1-benzoyl-8-[4-(methylthio)phenoxy]-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid Formula: C23H25NO4S2 MolecularWeight: 443.5789

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC2CCC3(CC2)N(C(CS3)C(=O)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)OC2CCC3(CC2)N(C(CS3)C(=O)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25NO4S2/c1-29-19-9-7-17(8-10-19)28-18-11-13-23(14-12-18)24(20(15-30-23)22(26)27)21(25)16-5-3-2-4-6-16/h2-10,18,20H,11-15H2,1H3,(H,26,27)