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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=S)C2=C(N3C=CC=C3C21)N)CSC4=NC(=C(C(=C4C#N)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=S)C2=C(N3C=CC=C3C21)N)CSC4=NC(=C(C(=C4C#N)C)C)C

InChI

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