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

Systemtic Name: [4-(4-cyanophenyl)phenyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C23H19NO2S MolecularWeight: 373.46746

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H19NO2S/c1-15-2-11-21-19(12-15)13-22(27-21)23(25)26-20-9-7-18(8-10-20)17-5-3-16(14-24)4-6-17/h3-10,13,15H,2,11-12H2,1H3