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

Systemtic Name: methyl 4-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-1,2,3-thiadiazole-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=C(C=C1)C2=C(SN=N2)C(=O)OC)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=C(C=C1)C2=C(SN=N2)C(=O)OC)O

InChI

InChI=1S/C17H23N3O4S/c1-17(2,3)18-9-12(21)10-24-13-7-5-11(6-8-13)14-15(16(22)23-4)25-20-19-14/h5-8,12,18,21H,9-10H2,1-4H3