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4-(2-cyano-3-methyl-1-benzothiophen-5-yl)benzoic acid

4-(2-cyano-3-methyl-1-benzothiophen-5-yl)benzoic acid

Systemtic Name:4-(2-cyano-3-methyl-1-benzothiophen-5-yl)benzoic acid
Openeye Name:4-(2-cyano-3-methyl-benzothiophen-5-yl)benzoic acid
CAS Name:4-(2-cyano-3-methyl-1-benzothiophen-5-yl)benzoic acid
IUPAC Name:4-(2-cyano-3-methyl-1-benzothiophen-5-yl)benzoic acid
Traditional Name:4-(2-cyano-3-methyl-benzothiophen-5-yl)benzoic acid
Formula: C17H11NO2S
MolecularWeight: 293.33974
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)C3=CC=C(C=C3)C(=O)O)C#N


Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)C3=CC=C(C=C3)C(=O)O)C#N


InChI

InChI=1S/C17H11NO2S/c1-10-14-8-13(6-7-15(14)21-16(10)9-18)11-2-4-12(5-3-11)17(19)20/h2-8H,1H3,(H,19,20)


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