ethyl 7-(1,3-benzothiazol-2-yl)-7-cyano-heptanoate

Systemtic Name: ethyl 7-(1,3-benzothiazol-2-yl)-7-cyano-heptanoate Openeye Name: ethyl 7-(1,3-benzothiazol-2-yl)-7-cyano-heptanoate CAS Name: 7-(1,3-benzothiazol-2-yl)-7-cyanoheptanoic acid ethyl ester IUPAC Name: ethyl 7-(1,3-benzothiazol-2-yl)-7-cyanoheptanoate Traditional Name: 7-(1,3-benzothiazol-2-yl)-7-cyano-enanthic acid ethyl ester Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCC(C#N)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CCOC(=O)CCCCCC(C#N)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H20N2O2S/c1-2-21-16(20)11-5-3-4-8-13(12-18)17-19-14-9-6-7-10-15(14)22-17/h6-7,9-10,13H,2-5,8,11H2,1H3