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

Systemtic Name: 1-[4-[3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-oxidanyl-propoxy]phenyl]propan-1-one; ethanedioic acid Openeye Name: 1-[4-[2-hydroxy-3-(thiochroman-4-ylamino)propoxy]phenyl]propan-1-one; oxalic acid CAS Name: 1-[4-[3-(3,4-dihydro-2H-1-benzothiopyran-4-ylamino)-2-hydroxypropoxy]phenyl]-1-propanone; oxalic acid IUPAC Name: 1-[4-[3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-hydroxypropoxy]phenyl]propan-1-one; oxalic acid Traditional Name: 1-[4-[2-hydroxy-3-(thiochroman-4-ylamino)propoxy]phenyl]propan-1-one; oxalic acid Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S.C2H2O4/c1-2-20(24)15-7-9-17(10-8-15)25-14-16(23)13-22-19-11-12-26-21-6-4-3-5-18(19)21;3-1(4)2(5)6/h3-10,16,19,22-23H,2,11-14H2,1H3;(H,3,4)(H,5,6)