2-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-methoxy-phenyl]-4H-1,4-benzothiazin-3-one

Systemtic Name: 2-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-methoxy-phenyl]-4H-1,4-benzothiazin-3-one Openeye Name: 2-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-methoxy-phenyl]-4H-1,4-benzothiazin-3-one CAS Name: 2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-methoxyphenyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-methoxyphenyl]-4H-1,4-benzothiazin-3-one Traditional Name: 2-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-methoxy-phenyl]-4H-1,4-benzothiazin-3-one Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-22(2,3)23-12-14(25)13-28-18-10-9-15(27-4)11-16(18)20-21(26)24-17-7-5-6-8-19(17)29-20/h5-11,14,20,23,25H,12-13H2,1-4H3,(H,24,26)