2-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-4H-1,4-benzothiazin-3-one

Systemtic Name: 2-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-4H-1,4-benzothiazin-3-one Openeye Name: 2-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-4H-1,4-benzothiazin-3-one CAS Name: 2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-4H-1,4-benzothiazin-3-one Traditional Name: 2-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-4H-1,4-benzothiazin-3-one Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=C(C=C1)C2C(=O)NC3=CC=CC=C3S2)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=C(C=C1)C2C(=O)NC3=CC=CC=C3S2)O

InChI

InChI=1S/C21H26N2O3S/c1-21(2,3)22-12-15(24)13-26-16-10-8-14(9-11-16)19-20(25)23-17-6-4-5-7-18(17)27-19/h4-11,15,19,22,24H,12-13H2,1-3H3,(H,23,25)