2-[8-(dimethylamino)-5-oxidanyl-3,4-dihydro-2H-thiochromen-2-yl]ethanoic acid

Systemtic Name: 2-[8-(dimethylamino)-5-oxidanyl-3,4-dihydro-2H-thiochromen-2-yl]ethanoic acid Openeye Name: 2-[8-(dimethylamino)-5-hydroxy-thiochroman-2-yl]acetic acid CAS Name: 2-[8-(dimethylamino)-5-hydroxy-3,4-dihydro-2H-1-benzothiopyran-2-yl]acetic acid IUPAC Name: 2-[8-(dimethylamino)-5-hydroxy-3,4-dihydro-2H-thiochromen-2-yl]acetic acid Traditional Name: 2-[8-(dimethylamino)-5-hydroxy-thiochroman-2-yl]acetic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C2C(=C(C=C1)O)CCC(S2)CC(=O)O

Isomeric SMILES

CN(C)C1=C2C(=C(C=C1)O)CCC(S2)CC(=O)O

InChI

InChI=1S/C13H17NO3S/c1-14(2)10-5-6-11(15)9-4-3-8(7-12(16)17)18-13(9)10/h5-6,8,15H,3-4,7H2,1-2H3,(H,16,17)