4-[2-(3,4-dihydro-2H-thiochromen-6-yl)-2-oxidanyl-ethyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[2-(3,4-dihydro-2H-thiochromen-6-yl)-2-oxidanyl-ethyl]piperazine-1-carbaldehyde Openeye Name: 4-(2-hydroxy-2-thiochroman-6-yl-ethyl)piperazine-1-carbaldehyde CAS Name: 4-[2-(3,4-dihydro-2H-1-benzothiopyran-6-yl)-2-hydroxyethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[2-(3,4-dihydro-2H-thiochromen-6-yl)-2-hydroxyethyl]piperazine-1-carbaldehyde Traditional Name: 4-(2-hydroxy-2-thiochroman-6-yl-ethyl)piperazine-1-carbaldehyde Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(CN3CCN(CC3)C=O)O)SC1

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(CN3CCN(CC3)C=O)O)SC1

InChI

InChI=1S/C16H22N2O2S/c19-12-18-7-5-17(6-8-18)11-15(20)13-3-4-16-14(10-13)2-1-9-21-16/h3-4,10,12,15,20H,1-2,5-9,11H2