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

Systemtic Name: 8-(4-propan-2-ylphenoxy)-1-(1H-pyrrol-2-ylcarbonyl)-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid Openeye Name: 8-(4-isopropylphenoxy)-1-(1H-pyrrole-2-carbonyl)-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid CAS Name: 1-[oxo(1H-pyrrol-2-yl)methyl]-8-(4-propan-2-ylphenoxy)-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid IUPAC Name: 8-(4-propan-2-ylphenoxy)-1-(1H-pyrrole-2-carbonyl)-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid Traditional Name: 8-(4-isopropylphenoxy)-1-(1H-pyrrole-2-carbonyl)-4-thia-1-azaspiro[4.5]decane-2-carboxylic acid Formula: C23H28N2O4S MolecularWeight: 428.54442

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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=CC=CN4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2CCC3(CC2)N(C(CS3)C(=O)O)C(=O)C4=CC=CN4

InChI

InChI=1S/C23H28N2O4S/c1-15(2)16-5-7-17(8-6-16)29-18-9-11-23(12-10-18)25(20(14-30-23)22(27)28)21(26)19-4-3-13-24-19/h3-8,13,15,18,20,24H,9-12,14H2,1-2H3,(H,27,28)