3-propylhexyl 2-[3-[2-(4-aminocarbonylphenoxy)ethylamino]-2-oxidanyl-propoxy]-1,3-thiazole-5-carboxylate

Systemtic Name: 3-propylhexyl 2-[3-[2-(4-aminocarbonylphenoxy)ethylamino]-2-oxidanyl-propoxy]-1,3-thiazole-5-carboxylate Openeye Name: 3-propylhexyl 2-[3-[2-(4-carbamoylphenoxy)ethylamino]-2-hydroxy-propoxy]thiazole-5-carboxylate CAS Name: 2-[3-[2-(4-carbamoylphenoxy)ethylamino]-2-hydroxypropoxy]-5-thiazolecarboxylic acid 3-propylhexyl ester IUPAC Name: 3-propylhexyl 2-[3-[2-(4-carbamoylphenoxy)ethylamino]-2-hydroxypropoxy]-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-[2-(4-carbamoylphenoxy)ethylamino]-2-hydroxy-propoxy]thiazole-5-carboxylic acid 3-propylhexyl ester Formula: C25H37N3O6S MolecularWeight: 507.64278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)CCOC(=O)C1=CN=C(S1)OCC(CNCCOC2=CC=C(C=C2)C(=O)N)O

Isomeric SMILES

CCCC(CCC)CCOC(=O)C1=CN=C(S1)OCC(CNCCOC2=CC=C(C=C2)C(=O)N)O

InChI

InChI=1S/C25H37N3O6S/c1-3-5-18(6-4-2)11-13-33-24(31)22-16-28-25(35-22)34-17-20(29)15-27-12-14-32-21-9-7-19(8-10-21)23(26)30/h7-10,16,18,20,27,29H,3-6,11-15,17H2,1-2H3,(H2,26,30)