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

Systemtic Name: (2-cyanophenyl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (2-cyanophenyl)methyl 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-cyanobenzyl) ester Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC=CC=C3C#N

InChI

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