[4-(4-cyanophenyl)phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C22H12ClNO2S MolecularWeight: 389.85418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C22H12ClNO2S/c23-20-18-3-1-2-4-19(18)27-21(20)22(25)26-17-11-9-16(10-12-17)15-7-5-14(13-24)6-8-15/h1-12H