propyl 4-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-1,2,3-thiadiazole-5-carboxylate

Systemtic Name: propyl 4-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-1,2,3-thiadiazole-5-carboxylate Openeye Name: propyl 4-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]thiadiazole-5-carboxylate CAS Name: 4-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-5-thiadiazolecarboxylic acid propyl ester IUPAC Name: propyl 4-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]thiadiazole-5-carboxylate Traditional Name: 4-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]thiadiazole-5-carboxylic acid propyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(N=NS1)C2=CC=CC=C2OCC(CNC(C)(C)C)O

Isomeric SMILES

CCCOC(=O)C1=C(N=NS1)C2=CC=CC=C2OCC(CNC(C)(C)C)O

InChI

InChI=1S/C19H27N3O4S/c1-5-10-25-18(24)17-16(21-22-27-17)14-8-6-7-9-15(14)26-12-13(23)11-20-19(2,3)4/h6-9,13,20,23H,5,10-12H2,1-4H3