diethyl (7S,8S)-3-azanyl-2-cyano-1-[(E)-1-methoxy-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-methoxy-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-[hydroxy(methoxy)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-hydroxy-1-methoxy-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-hydroxy-1-methoxy-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-hydroxy-2-methoxy-vinyl]-3-amino-2-cyano-5-methyl-7-(2-thienyl)-7,8-dihydroindolizine-6,8-dicarboxylic acid diethyl ester Formula: C25H27N3O7S MolecularWeight: 513.56278

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H27N3O7S/c1-6-34-24(31)16-12(3)28-21(20(25(32)35-7-2)19(16)15-9-8-10-36-15)18(14(11-26)22(28)27)17(13(4)29)23(30)33-5/h8-10,19-20,30H,6-7,27H2,1-5H3/b23-17-/t19-,20+/m1/s1