methyl 6-cyano-7-methyl-6-thiophen-2-yl-octanoate

Systemtic Name: methyl 6-cyano-7-methyl-6-thiophen-2-yl-octanoate Openeye Name: methyl 6-cyano-7-methyl-6-(2-thienyl)octanoate CAS Name: 6-cyano-7-methyl-6-thiophen-2-yloctanoic acid methyl ester IUPAC Name: methyl 6-cyano-7-methyl-6-thiophen-2-yloctanoate Traditional Name: 6-cyano-7-methyl-6-(2-thienyl)caprylic acid methyl ester Formula: C15H21NO2S MolecularWeight: 279.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCCC(=O)OC)(C#N)C1=CC=CS1

Isomeric SMILES

CC(C)C(CCCCC(=O)OC)(C#N)C1=CC=CS1

InChI

InChI=1S/C15H21NO2S/c1-12(2)15(11-16,13-7-6-10-19-13)9-5-4-8-14(17)18-3/h6-7,10,12H,4-5,8-9H2,1-3H3