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

Systemtic Name: methyl 2-[(8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]-4-methyl-pentanoate Openeye Name: methyl 2-[(8-fluorothiochroman-4-yl)amino]-4-methyl-pentanoate CAS Name: 2-[(8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-4-methylpentanoate Traditional Name: 2-[(8-fluorothiochroman-4-yl)amino]-4-methyl-valeric acid methyl ester Formula: C16H22FNO2S MolecularWeight: 311.414783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22FNO2S/c1-10(2)9-14(16(19)20-3)18-13-7-8-21-15-11(13)5-4-6-12(15)17/h4-6,10,13-14,18H,7-9H2,1-3H3