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

Systemtic Name: diethyl (7S,8S)-3-azanyl-2-cyano-5-methyl-1-[(E)-1-oxidanyl-3-oxidanylidene-1-propan-2-yloxy-but-1-en-2-yl]-7-thiophen-2-yl-7,8-dihydroindolizine-6,8-dicarboxylate Openeye Name: diethyl (7S,8S)-3-amino-2-cyano-1-[(1E)-1-[hydroxy(isopropoxy)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-3-oxo-1-propan-2-yloxybut-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-3-oxo-1-propan-2-yloxybut-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-isopropoxy-vinyl]-3-amino-2-cyano-5-methyl-7-(2-thienyl)-7,8-dihydroindolizine-6,8-dicarboxylic acid diethyl ester Formula: C27H31N3O7S MolecularWeight: 541.61594

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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)C)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)C)/C(=O)C)C)C(=O)OCC)C3=CC=CS3

InChI

InChI=1S/C27H31N3O7S/c1-7-35-25(32)18-14(5)30-23(22(26(33)36-8-2)21(18)17-10-9-11-38-17)20(16(12-28)24(30)29)19(15(6)31)27(34)37-13(3)4/h9-11,13,21-22,34H,7-8,29H2,1-6H3/b27-19-/t21-,22+/m1/s1