7-[2-[[1-(4-butoxyphenyl)-2-methyl-propan-2-yl]amino]-1-oxidanyl-ethyl]-5-oxidanyl-3H-1,3-benzothiazol-2-one

Systemtic Name: 7-[2-[[1-(4-butoxyphenyl)-2-methyl-propan-2-yl]amino]-1-oxidanyl-ethyl]-5-oxidanyl-3H-1,3-benzothiazol-2-one Openeye Name: 7-[2-[[2-(4-butoxyphenyl)-1,1-dimethyl-ethyl]amino]-1-hydroxy-ethyl]-5-hydroxy-3H-1,3-benzothiazol-2-one CAS Name: 7-[2-[[1-(4-butoxyphenyl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-5-hydroxy-3H-1,3-benzothiazol-2-one IUPAC Name: 7-[2-[[1-(4-butoxyphenyl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-5-hydroxy-3H-1,3-benzothiazol-2-one Traditional Name: 7-[2-[[2-(4-butoxyphenyl)-1,1-dimethyl-ethyl]amino]-1-hydroxy-ethyl]-5-hydroxy-3H-1,3-benzothiazol-2-one Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC(C)(C)NCC(C2=CC(=CC3=C2SC(=O)N3)O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC(C)(C)NCC(C2=CC(=CC3=C2SC(=O)N3)O)O

InChI

InChI=1S/C23H30N2O4S/c1-4-5-10-29-17-8-6-15(7-9-17)13-23(2,3)24-14-20(27)18-11-16(26)12-19-21(18)30-22(28)25-19/h6-9,11-12,20,24,26-27H,4-5,10,13-14H2,1-3H3,(H,25,28)