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

Systemtic Name: [4-(cyanomethyl)phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-(cyanomethyl)phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [4-(cyanomethyl)phenyl] 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)OC3=CC=C(C=C3)CC#N)Cl

Isomeric SMILES

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

InChI

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