diethyl (7S,8S)-3-azanyl-2-cyano-1-[(E)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-5-methyl-7-thiophen-2-yl-7,8-dihydroindolizine-6,8-dicarboxylate

Systemtic Name: diethyl (7S,8S)-3-azanyl-2-cyano-1-[(E)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-5-methyl-7-thiophen-2-yl-7,8-dihydroindolizine-6,8-dicarboxylate Openeye Name: diethyl (7S,8S)-3-amino-2-cyano-1-[(1E)-1-[ethoxy(hydroxy)methylene]-2-oxo-propyl]-5-methyl-7-(2-thienyl)-7,8-dihydroindolizine-6,8-dicarboxylate CAS Name: (7S,8S)-3-amino-2-cyano-1-[(E)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]-5-methyl-7-thiophen-2-yl-7,8-dihydroindolizine-6,8-dicarboxylic acid diethyl ester IUPAC Name: diethyl (7S,8S)-3-amino-2-cyano-1-[(E)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]-5-methyl-7-thiophen-2-yl-7,8-dihydroindolizine-6,8-dicarboxylate Traditional Name: (7S,8S)-1-[(E)-1-acetyl-2-ethoxy-2-hydroxy-vinyl]-3-amino-2-cyano-5-methyl-7-(2-thienyl)-7,8-dihydroindolizine-6,8-dicarboxylic acid diethyl ester Formula: C26H29N3O7S MolecularWeight: 527.58936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N2C1=C(C(=C2N)C#N)C(=C(O)OCC)C(=O)C)C)C(=O)OCC)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](C(=C(N2C1=C(C(=C2N)C#N)/C(=C(/O)\OCC)/C(=O)C)C)C(=O)OCC)C3=CC=CS3

InChI

InChI=1S/C26H29N3O7S/c1-6-34-24(31)17-13(4)29-22(21(26(33)36-8-3)20(17)16-10-9-11-37-16)19(15(12-27)23(29)28)18(14(5)30)25(32)35-7-2/h9-11,20-21,32H,6-8,28H2,1-5H3/b25-18-/t20-,21+/m1/s1