8-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3,4-dihydro-2H-thiochromen-4-ol

Systemtic Name: 8-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3,4-dihydro-2H-thiochromen-4-ol Openeye Name: 8-[3-(tert-butylamino)-2-hydroxy-propoxy]thiochroman-4-ol CAS Name: 8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-1-benzothiopyran-4-ol IUPAC Name: 8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-thiochromen-4-ol Traditional Name: 8-[3-(tert-butylamino)-2-hydroxy-propoxy]thiochroman-4-ol Formula: C16H25NO3S MolecularWeight: 311.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC2=C1SCCC2O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC2=C1SCCC2O)O

InChI

InChI=1S/C16H25NO3S/c1-16(2,3)17-9-11(18)10-20-14-6-4-5-12-13(19)7-8-21-15(12)14/h4-6,11,13,17-19H,7-10H2,1-3H3