ethanenitrile; ethyl 2-[4,5-di(piperidin-1-yl)-1,3-dithiolan-2-ylidene]ethanoate

Systemtic Name: ethanenitrile; ethyl 2-[4,5-di(piperidin-1-yl)-1,3-dithiolan-2-ylidene]ethanoate Openeye Name: acetonitrile; ethyl 2-[4,5-bis(1-piperidyl)-1,3-dithiolan-2-ylidene]acetate CAS Name: acetonitrile; 2-[4,5-bis(1-piperidinyl)-1,3-dithiolan-2-ylidene]acetic acid ethyl ester IUPAC Name: acetonitrile; ethyl 2-[4,5-di(piperidin-1-yl)-1,3-dithiolan-2-ylidene]acetate Traditional Name: acetonitrile; 2-(4,5-dipiperidino-1,3-dithiolan-2-ylidene)acetic acid ethyl ester Formula: C19H31N3O2S2 MolecularWeight: 397.59834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C1SC(C(S1)N2CCCCC2)N3CCCCC3.CC#N

Isomeric SMILES

CCOC(=O)C=C1SC(C(S1)N2CCCCC2)N3CCCCC3.CC#N

InChI

InChI=1S/C17H28N2O2S2.C2H3N/c1-2-21-14(20)13-15-22-16(18-9-5-3-6-10-18)17(23-15)19-11-7-4-8-12-19;1-2-3/h13,16-17H,2-12H2,1H3;1H3