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

Systemtic Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(2-fluorophenyl)sulfanyl-propanamide Openeye Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-3-(2-fluorophenyl)sulfanyl-propanamide CAS Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-3-[(2-fluorophenyl)thio]propanamide IUPAC Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(2-fluorophenyl)sulfanylpropanamide Traditional Name: N-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-3-[(2-fluorophenyl)thio]propionamide Formula: C20H22FNO3S MolecularWeight: 375.456983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)CCSC3=CC=CC=C3F

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)NC(=O)CCSC3=CC=CC=C3F

InChI

InChI=1S/C20H22FNO3S/c1-3-24-18-11-14-10-13(2)25-17(14)12-16(18)22-20(23)8-9-26-19-7-5-4-6-15(19)21/h4-7,11-13H,3,8-10H2,1-2H3,(H,22,23)/t13-/m0/s1