1-[4-[3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-oxidanyl-propoxy]phenyl]ethanone; ethanedioic acid

Systemtic Name: 1-[4-[3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-oxidanyl-propoxy]phenyl]ethanone; ethanedioic acid Openeye Name: 1-[4-[2-hydroxy-3-(thiochroman-4-ylamino)propoxy]phenyl]ethanone; oxalic acid CAS Name: 1-[4-[3-(3,4-dihydro-2H-1-benzothiopyran-4-ylamino)-2-hydroxypropoxy]phenyl]ethanone; oxalic acid IUPAC Name: 1-[4-[3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-hydroxypropoxy]phenyl]ethanone; oxalic acid Traditional Name: 1-[4-[2-hydroxy-3-(thiochroman-4-ylamino)propoxy]phenyl]ethanone; oxalic acid Formula: C22H25NO7S MolecularWeight: 447.5014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(CNC2CCSC3=CC=CC=C23)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(CNC2CCSC3=CC=CC=C23)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23NO3S.C2H2O4/c1-14(22)15-6-8-17(9-7-15)24-13-16(23)12-21-19-10-11-25-20-5-3-2-4-18(19)20;3-1(4)2(5)6/h2-9,16,19,21,23H,10-13H2,1H3;(H,3,4)(H,5,6)