diethyl (7S,8S)-3-azanyl-2-cyano-5-methyl-1-[(Z)-2-oxidanyl-4-oxidanylidene-pent-2-en-3-yl]-7-thiophen-2-yl-7,8-dihydroindolizine-6,8-dicarboxylate

Systemtic Name: diethyl (7S,8S)-3-azanyl-2-cyano-5-methyl-1-[(Z)-2-oxidanyl-4-oxidanylidene-pent-2-en-3-yl]-7-thiophen-2-yl-7,8-dihydroindolizine-6,8-dicarboxylate Openeye Name: diethyl (7S,8S)-1-[(Z)-1-acetyl-2-hydroxy-prop-1-enyl]-3-amino-2-cyano-5-methyl-7-(2-thienyl)-7,8-dihydroindolizine-6,8-dicarboxylate CAS Name: (7S,8S)-3-amino-2-cyano-1-[(Z)-2-hydroxy-4-oxopent-2-en-3-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-[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]-5-methyl-7-thiophen-2-yl-7,8-dihydroindolizine-6,8-dicarboxylate Traditional Name: (7S,8S)-1-[(Z)-1-acetyl-2-hydroxy-prop-1-enyl]-3-amino-2-cyano-5-methyl-7-(2-thienyl)-7,8-dihydroindolizine-6,8-dicarboxylic acid diethyl ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H27N3O6S/c1-6-33-24(31)17-12(3)28-22(19(15(11-26)23(28)27)18(13(4)29)14(5)30)21(25(32)34-7-2)20(17)16-9-8-10-35-16/h8-10,20-21,29H,6-7,27H2,1-5H3/b18-13+/t20-,21+/m1/s1