tert-butyl 4-(2-cyano-1-benzothiophen-3-yl)benzoate

Systemtic Name: tert-butyl 4-(2-cyano-1-benzothiophen-3-yl)benzoate Openeye Name: tert-butyl 4-(2-cyanobenzothiophen-3-yl)benzoate CAS Name: 4-(2-cyano-1-benzothiophen-3-yl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-cyano-1-benzothiophen-3-yl)benzoate Traditional Name: 4-(2-cyanobenzothiophen-3-yl)benzoic acid tert-butyl ester Formula: C20H17NO2S MolecularWeight: 335.41948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)C2=C(SC3=CC=CC=C32)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)C2=C(SC3=CC=CC=C32)C#N

InChI

InChI=1S/C20H17NO2S/c1-20(2,3)23-19(22)14-10-8-13(9-11-14)18-15-6-4-5-7-16(15)24-17(18)12-21/h4-11H,1-3H3