4-(2-cyano-1-benzothiophen-3-yl)benzoic acid

Systemtic Name: 4-(2-cyano-1-benzothiophen-3-yl)benzoic acid Openeye Name: 4-(2-cyanobenzothiophen-3-yl)benzoic acid CAS Name: 4-(2-cyano-1-benzothiophen-3-yl)benzoic acid IUPAC Name: 4-(2-cyano-1-benzothiophen-3-yl)benzoic acid Traditional Name: 4-(2-cyanobenzothiophen-3-yl)benzoic acid Formula: C16H9NO2S MolecularWeight: 279.31316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9NO2S/c17-9-14-15(12-3-1-2-4-13(12)20-14)10-5-7-11(8-6-10)16(18)19/h1-8H,(H,18,19)