1-cyanoethyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: 1-cyanoethyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: 1-cyanoethyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid 1-cyanoethyl ester Formula: C13H13NO2S2 MolecularWeight: 279.37782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=C(C=C1)C2SCCS2

Isomeric SMILES

CC(C#N)OC(=O)C1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C13H13NO2S2/c1-9(8-14)16-12(15)10-2-4-11(5-3-10)13-17-6-7-18-13/h2-5,9,13H,6-7H2,1H3