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

Systemtic Name: 4-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-1,2,3-thiadiazole-5-carboxylic acid Openeye Name: 4-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]thiadiazole-5-carboxylic acid CAS Name: 4-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-5-thiadiazolecarboxylic acid IUPAC Name: 4-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]thiadiazole-5-carboxylic acid Traditional Name: 4-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]thiadiazole-5-carboxylic acid Formula: C16H21N3O4S MolecularWeight: 351.42064

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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)O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-16(2,3)17-8-11(20)9-23-12-6-4-10(5-7-12)13-14(15(21)22)24-19-18-13/h4-7,11,17,20H,8-9H2,1-3H3,(H,21,22)