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

Systemtic Name: ethyl 4-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-1,2,3-thiadiazole-5-carboxylate Openeye Name: ethyl 4-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]thiadiazole-5-carboxylate CAS Name: 4-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-5-thiadiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]thiadiazole-5-carboxylate Traditional Name: 4-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]thiadiazole-5-carboxylic acid ethyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=NS1)C2=CC=C(C=C2)OCC(CNC(C)(C)C)O

Isomeric SMILES

CCOC(=O)C1=C(N=NS1)C2=CC=C(C=C2)OCC(CNC(C)(C)C)O

InChI

InChI=1S/C18H25N3O4S/c1-5-24-17(23)16-15(20-21-26-16)12-6-8-14(9-7-12)25-11-13(22)10-19-18(2,3)4/h6-9,13,19,22H,5,10-11H2,1-4H3