1-(1-benzothiophen-4-yloxy)-3-(tert-butylamino)butan-2-ol; ethanedioic acid

Systemtic Name: 1-(1-benzothiophen-4-yloxy)-3-(tert-butylamino)butan-2-ol; ethanedioic acid Openeye Name: 1-(benzothiophen-4-yloxy)-3-(tert-butylamino)butan-2-ol; oxalic acid CAS Name: 1-(1-benzothiophen-4-yloxy)-3-(tert-butylamino)-2-butanol; oxalic acid IUPAC Name: 1-(1-benzothiophen-4-yloxy)-3-(tert-butylamino)butan-2-ol; oxalic acid Traditional Name: 1-(benzothiophen-4-yloxy)-3-(tert-butylamino)butan-2-ol; oxalic acid Formula: C18H25NO6S MolecularWeight: 383.4592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(COC1=C2C=CSC2=CC=C1)O)NC(C)(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(COC1=C2C=CSC2=CC=C1)O)NC(C)(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23NO2S.C2H2O4/c1-11(17-16(2,3)4)13(18)10-19-14-6-5-7-15-12(14)8-9-20-15;3-1(4)2(5)6/h5-9,11,13,17-18H,10H2,1-4H3;(H,3,4)(H,5,6)