methyl (1S,2S,3R,8aR)-3-aminocarbonyl-1-cyano-6-ethanoyl-2-pyridin-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate

Systemtic Name: methyl (1S,2S,3R,8aR)-3-aminocarbonyl-1-cyano-6-ethanoyl-2-pyridin-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate Openeye Name: methyl (1S,2S,3R,8aR)-6-acetyl-3-carbamoyl-1-cyano-2-(3-pyridyl)-3,8a-dihydro-2H-indolizine-1-carboxylate CAS Name: (1S,2S,3R,8aR)-6-acetyl-3-carbamoyl-1-cyano-2-(3-pyridinyl)-3,8a-dihydro-2H-indolizine-1-carboxylic acid methyl ester IUPAC Name: methyl (1S,2S,3R,8aR)-6-acetyl-3-carbamoyl-1-cyano-2-pyridin-3-yl-3,8a-dihydro-2H-indolizine-1-carboxylate Traditional Name: (1S,2S,3R,8aR)-6-acetyl-3-carbamoyl-1-cyano-2-(3-pyridyl)-3,8a-dihydro-2H-indolizine-1-carboxylic acid methyl ester Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN2C(C=C1)C(C(C2C(=O)N)C3=CN=CC=C3)(C#N)C(=O)OC

Isomeric SMILES

CC(=O)C1=CN2[C@H](C=C1)[C@@]([C@@H]([C@@H]2C(=O)N)C3=CN=CC=C3)(C#N)C(=O)OC

InChI

InChI=1S/C19H18N4O4/c1-11(24)13-5-6-14-19(10-20,18(26)27-2)15(12-4-3-7-22-8-12)16(17(21)25)23(14)9-13/h3-9,14-16H,1-2H3,(H2,21,25)/t14-,15-,16-,19-/m1/s1