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

Systemtic Name: (4-cyanophenyl) 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (4-cyanophenyl) 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (4-cyanophenyl) ester Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H15NO2S/c1-11-2-7-15-13(8-11)9-16(21-15)17(19)20-14-5-3-12(10-18)4-6-14/h3-6,9,11H,2,7-8H2,1H3