methyl (2S)-2-[(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]propanoate

Systemtic Name: methyl (2S)-2-[(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]propanoate Openeye Name: methyl (2S)-2-[(8-fluorothiochroman-4-yl)amino]propanoate CAS Name: (2S)-2-[(8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanoate Traditional Name: (2S)-2-[(8-fluorothiochroman-4-yl)amino]propionic acid methyl ester Formula: C13H16FNO2S MolecularWeight: 269.335043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC1CCSC2=C1C=CC=C2F

Isomeric SMILES

C[C@@H](C(=O)OC)NC1CCSC2=C1C=CC=C2F

InChI

InChI=1S/C13H16FNO2S/c1-8(13(16)17-2)15-11-6-7-18-12-9(11)4-3-5-10(12)14/h3-5,8,11,15H,6-7H2,1-2H3/t8-,11?/m0/s1