2-azanyl-3-(1H-isothiochromen-1-yl)propanoic acid

Systemtic Name: 2-azanyl-3-(1H-isothiochromen-1-yl)propanoic acid Openeye Name: 2-amino-3-(1H-isothiochromen-1-yl)propanoic acid CAS Name: 2-amino-3-(1H-2-benzothiopyran-1-yl)propanoic acid IUPAC Name: 2-amino-3-(1H-isothiochromen-1-yl)propanoic acid Traditional Name: 2-amino-3-(1H-isothiochromen-1-yl)propionic acid Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(SC=CC2=C1)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(SC=CC2=C1)CC(C(=O)O)N

InChI

InChI=1S/C12H13NO2S/c13-10(12(14)15)7-11-9-4-2-1-3-8(9)5-6-16-11/h1-6,10-11H,7,13H2,(H,14,15)