8-(4-propan-2-ylphenoxy)-1-quinolin-3-ylcarbonyl-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid

Systemtic Name: 8-(4-propan-2-ylphenoxy)-1-quinolin-3-ylcarbonyl-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid Openeye Name: 8-(4-isopropylphenoxy)-1-(quinoline-3-carbonyl)-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid CAS Name: 1-[oxo(3-quinolinyl)methyl]-8-(4-propan-2-ylphenoxy)-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid IUPAC Name: 8-(4-propan-2-ylphenoxy)-1-(quinoline-3-carbonyl)-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid Traditional Name: 8-(4-isopropylphenoxy)-1-(quinoline-3-carbonyl)-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2CCC3(CC2)N(C(CS3)C(=O)O)C(=O)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2CCC3(CC2)N(C(CS3)C(=O)O)C(=O)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C28H30N2O4S/c1-18(2)19-7-9-22(10-8-19)34-23-11-13-28(14-12-23)30(25(17-35-28)27(32)33)26(31)21-15-20-5-3-4-6-24(20)29-16-21/h3-10,15-16,18,23,25H,11-14,17H2,1-2H3,(H,32,33)