methyl 6-[[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(4S)-6-fluorothiochroman-4-yl]carbamothioylamino]hexanoate CAS Name: 6-[[[[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]carbamothioylamino]hexanoate Traditional Name: 6-[[(4S)-6-fluorothiochroman-4-yl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H23FN2O2S2 MolecularWeight: 370.505123

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1CCSC2=C1C=C(C=C2)F

Isomeric SMILES

COC(=O)CCCCCNC(=S)N[C@H]1CCSC2=C1C=C(C=C2)F

InChI

InChI=1S/C17H23FN2O2S2/c1-22-16(21)5-3-2-4-9-19-17(23)20-14-8-10-24-15-7-6-12(18)11-13(14)15/h6-7,11,14H,2-5,8-10H2,1H3,(H2,19,20,23)/t14-/m0/s1