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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC1CCSC2=C1C=CC=C2F

Isomeric SMILES

COC(=O)CCNC1CCSC2=C1C=CC=C2F

InChI

InChI=1S/C13H16FNO2S/c1-17-12(16)5-7-15-11-6-8-18-13-9(11)3-2-4-10(13)14/h2-4,11,15H,5-8H2,1H3