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

Systemtic Name: 5-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-1,2,3-thiadiazole-4-carboxylic acid Openeye Name: 5-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]thiadiazole-4-carboxylic acid CAS Name: 5-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-4-thiadiazolecarboxylic acid IUPAC Name: 5-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]thiadiazole-4-carboxylic acid Traditional Name: 5-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]thiadiazole-4-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(N=NS2)C(=O)O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=C(C=C1)C2=C(N=NS2)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)14-13(15(21)22)18-19-24-14/h4-7,11,17,20H,8-9H2,1-3H3,(H,21,22)