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

Systemtic Name: ethyl 5-azanyl-2-[(3-cyano-6-phenyl-pyridin-2-yl)sulfanylmethyl]-4-sulfanylidene-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylate Openeye Name: ethyl 5-amino-2-[(3-cyano-6-phenyl-2-pyridyl)sulfanylmethyl]-4-thioxo-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylate CAS Name: 5-amino-2-[[(3-cyano-6-phenyl-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-phenylpyridin-2-yl)sulfanylmethyl]-4-sulfanylidene-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylate Traditional Name: 5-amino-2-[[(3-cyano-6-phenyl-2-pyridyl)thio]methyl]-4-thioxo-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylic acid ethyl ester Formula: C26H20N4O3S2 MolecularWeight: 500.592

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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)C5=CC=CC=C5)C#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=S)C2=C(N3C=CC=C3C21)N)CSC4=C(C=CC(=N4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C26H20N4O3S2/c1-2-32-25(31)21-19(33-26(34)22-20(21)18-9-6-12-30(18)23(22)28)14-35-24-16(13-27)10-11-17(29-24)15-7-4-3-5-8-15/h3-12,20H,2,14,28H2,1H3