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

Systemtic Name: methyl 4-[[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(4S)-6-fluorothiochroman-4-yl]carbamothioylamino]butanoate CAS Name: 4-[[[[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]carbamothioylamino]butanoate Traditional Name: 4-[[(4S)-6-fluorothiochroman-4-yl]thiocarbamoylamino]butyric acid methyl ester Formula: C15H19FN2O2S2 MolecularWeight: 342.451963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19FN2O2S2/c1-20-14(19)3-2-7-17-15(21)18-12-6-8-22-13-5-4-10(16)9-11(12)13/h4-5,9,12H,2-3,6-8H2,1H3,(H2,17,18,21)/t12-/m0/s1