(3-fluoranyl-4-methoxy-phenyl)methyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C18H19FO3S MolecularWeight: 334.405063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C18H19FO3S/c1-11-3-6-16-13(7-11)9-17(23-16)18(20)22-10-12-4-5-15(21-2)14(19)8-12/h4-5,8-9,11H,3,6-7,10H2,1-2H3/t11-/m0/s1