diethyl (1S,7R)-3-azanyl-2-cyano-5-methyl-1-(1-nitro-2-oxidanylidene-2-phenyl-ethyl)-7-thiophen-2-yl-1,7-dihydroindolizine-6,8-dicarboxylate

Systemtic Name: diethyl (1S,7R)-3-azanyl-2-cyano-5-methyl-1-(1-nitro-2-oxidanylidene-2-phenyl-ethyl)-7-thiophen-2-yl-1,7-dihydroindolizine-6,8-dicarboxylate Openeye Name: diethyl (1S,7R)-3-amino-2-cyano-5-methyl-1-(1-nitro-2-oxo-2-phenyl-ethyl)-7-(2-thienyl)-1,7-dihydroindolizine-6,8-dicarboxylate CAS Name: (1S,7R)-3-amino-2-cyano-5-methyl-1-(1-nitro-2-oxo-2-phenylethyl)-7-thiophen-2-yl-1,7-dihydroindolizine-6,8-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,7R)-3-amino-2-cyano-5-methyl-1-(1-nitro-2-oxo-2-phenylethyl)-7-thiophen-2-yl-1,7-dihydroindolizine-6,8-dicarboxylate Traditional Name: (1S,7R)-3-amino-2-cyano-1-(2-keto-1-nitro-2-phenyl-ethyl)-5-methyl-7-(2-thienyl)-1,7-dihydroindolizine-6,8-dicarboxylic acid diethyl ester Formula: C28H26N4O7S MolecularWeight: 562.59364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(=C(C1C3=CC=CS3)C(=O)OCC)C(C(=C2N)C#N)C(C(=O)C4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N2C(=C([C@@H]1C3=CC=CS3)C(=O)OCC)[C@@H](C(=C2N)C#N)C(C(=O)C4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C28H26N4O7S/c1-4-38-27(34)19-15(3)31-23(22(28(35)39-5-2)21(19)18-12-9-13-40-18)20(17(14-29)26(31)30)24(32(36)37)25(33)16-10-7-6-8-11-16/h6-13,20-21,24H,4-5,30H2,1-3H3/t20-,21-,24?/m1/s1