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

Systemtic Name: ethyl 5-azanyl-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4-sulfanylidene-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylate Openeye Name: ethyl 5-amino-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-4-thioxo-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylate CAS Name: 5-amino-2-[[(3-cyano-4,6-dimethyl-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-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-sulfanylidene-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylate Traditional Name: 5-amino-2-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-4-thioxo-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylic acid ethyl ester Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=S)C2=C(N3C=CC=C3C21)N)CSC4=C(C(=CC(=N4)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=S)C2=C(N3C=CC=C3C21)N)CSC4=C(C(=CC(=N4)C)C)C#N

InChI

InChI=1S/C22H20N4O3S2/c1-4-28-21(27)17-15(10-31-20-13(9-23)11(2)8-12(3)25-20)29-22(30)18-16(17)14-6-5-7-26(14)19(18)24/h5-8,16H,4,10,24H2,1-3H3