N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(4-fluorophenyl)sulfanyl-propanamide

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-3-[(4-fluorophenyl)thio]propionamide Formula: C21H24FNO3S MolecularWeight: 389.483563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FNO3S/c1-3-25-19-11-15-10-14(2)26-20(15)12-16(19)13-23-21(24)8-9-27-18-6-4-17(22)5-7-18/h4-7,11-12,14H,3,8-10,13H2,1-2H3,(H,23,24)/t14-/m0/s1