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

Systemtic Name: (3-cyanophenyl)methyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (3-cyanophenyl)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-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)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-cyanobenzyl) ester Formula: C18H17NO2S MolecularWeight: 311.39808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO2S/c1-12-5-6-16-15(7-12)9-17(22-16)18(20)21-11-14-4-2-3-13(8-14)10-19/h2-4,8-9,12H,5-7,11H2,1H3/t12-/m0/s1