3-(3,4-dihydro-1H-isothiochromen-4-ylamino)propanoic acid

Systemtic Name: 3-(3,4-dihydro-1H-isothiochromen-4-ylamino)propanoic acid Openeye Name: 3-(isothiochroman-4-ylamino)propanoic acid CAS Name: 3-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)propanoic acid IUPAC Name: 3-(3,4-dihydro-1H-isothiochromen-4-ylamino)propanoic acid Traditional Name: 3-(isothiochroman-4-ylamino)propionic acid Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2CS1)NCCC(=O)O

Isomeric SMILES

C1C(C2=CC=CC=C2CS1)NCCC(=O)O

InChI

InChI=1S/C12H15NO2S/c14-12(15)5-6-13-11-8-16-7-9-3-1-2-4-10(9)11/h1-4,11,13H,5-8H2,(H,14,15)