ethyl 5-azanyl-2-[(3-cyano-6-ethyl-5-methyl-pyridin-2-yl)sulfanylmethyl]-4-sulfanylidene-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylate

Systemtic Name: ethyl 5-azanyl-2-[(3-cyano-6-ethyl-5-methyl-pyridin-2-yl)sulfanylmethyl]-4-sulfanylidene-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylate Openeye Name: ethyl 5-amino-2-[(3-cyano-6-ethyl-5-methyl-2-pyridyl)sulfanylmethyl]-4-thioxo-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylate CAS Name: 5-amino-2-[[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)thio]methyl]-4-sulfanylidene-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanylmethyl]-4-sulfanylidene-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylate Traditional Name: 5-amino-2-[[(3-cyano-6-ethyl-5-methyl-2-pyridyl)thio]methyl]-4-thioxo-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylic acid ethyl ester Formula: C23H22N4O3S2 MolecularWeight: 466.57578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)SCC2=C(C3C4=CC=CN4C(=C3C(=S)O2)N)C(=O)OCC)C#N)C

Isomeric SMILES

CCC1=C(C=C(C(=N1)SCC2=C(C3C4=CC=CN4C(=C3C(=S)O2)N)C(=O)OCC)C#N)C

InChI

InChI=1S/C23H22N4O3S2/c1-4-14-12(3)9-13(10-24)21(26-14)32-11-16-18(22(28)29-5-2)17-15-7-6-8-27(15)20(25)19(17)23(31)30-16/h6-9,17H,4-5,11,25H2,1-3H3