ethyl 6-[2-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[4-(1,1-dioxo-3-thiolanyl)-1-piperazinyl]-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-[4-(1,1-diketothiolan-3-yl)piperazino]-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C20H26N4O5S2 MolecularWeight: 466.57424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3)C

InChI

InChI=1S/C20H26N4O5S2/c1-3-29-20(26)17-10-15(11-21)19(22-14(17)2)30-12-18(25)24-7-5-23(6-8-24)16-4-9-31(27,28)13-16/h10,16H,3-9,12-13H2,1-2H3