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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22FNO2S/c1-4-10(2)14(16(19)20-3)18-13-8-9-21-15-11(13)6-5-7-12(15)17/h5-7,10,13-14,18H,4,8-9H2,1-3H3