(2-cyanophenyl)methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Openeye Name: (2-cyanophenyl)methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate CAS Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Traditional Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid (2-cyanobenzyl) ester Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2)C(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C(=O)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C18H17NO2S/c19-11-14-7-4-5-8-15(14)12-21-18(20)17-10-13-6-2-1-3-9-16(13)22-17/h4-5,7-8,10H,1-3,6,9,12H2