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

Systemtic Name: (3-cyanophenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (3-cyanophenyl) 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (3-cyanophenyl) ester Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H13NO2S/c17-10-11-4-3-6-13(8-11)19-16(18)15-9-12-5-1-2-7-14(12)20-15/h3-4,6,8-9H,1-2,5,7H2