2-(3,4-dihydro-1H-isothiochromen-4-ylamino)ethanoic acid

Systemtic Name: 2-(3,4-dihydro-1H-isothiochromen-4-ylamino)ethanoic acid Openeye Name: 2-(isothiochroman-4-ylamino)acetic acid CAS Name: 2-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)acetic acid IUPAC Name: 2-(3,4-dihydro-1H-isothiochromen-4-ylamino)acetic acid Traditional Name: 2-(isothiochroman-4-ylamino)acetic acid Formula: C11H13NO2S MolecularWeight: 223.29142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO2S/c13-11(14)5-12-10-7-15-6-8-3-1-2-4-9(8)10/h1-4,10,12H,5-7H2,(H,13,14)