(3-cyanophenyl)methyl 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: (3-cyanophenyl)methyl 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid (3-cyanobenzyl) ester Formula: C17H9Cl2NO2S MolecularWeight: 362.22986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)COC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C17H9Cl2NO2S/c18-12-4-5-13-14(7-12)23-16(15(13)19)17(21)22-9-11-3-1-2-10(6-11)8-20/h1-7H,9H2