(3-cyanophenyl)methyl 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (3-cyanophenyl)methyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (3-cyanobenzyl) ester Formula: C17H10ClNO2S MolecularWeight: 327.7848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC3=CC=CC(=C3)C#N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC3=CC=CC(=C3)C#N)Cl

InChI

InChI=1S/C17H10ClNO2S/c18-15-13-6-1-2-7-14(13)22-16(15)17(20)21-10-12-5-3-4-11(8-12)9-19/h1-8H,10H2