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

Systemtic Name: diethyl (7S,8S)-3-azanyl-2-cyano-5-methyl-1-[(Z)-3-oxidanyl-5-oxidanylidene-hept-3-en-4-yl]-7-thiophen-2-yl-7,8-dihydroindolizine-6,8-dicarboxylate Openeye Name: diethyl (7S,8S)-3-amino-2-cyano-1-[(Z)-2-hydroxy-1-propanoyl-but-1-enyl]-5-methyl-7-(2-thienyl)-7,8-dihydroindolizine-6,8-dicarboxylate CAS Name: (7S,8S)-3-amino-2-cyano-1-[(Z)-3-hydroxy-5-oxohept-3-en-4-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)-3-hydroxy-5-oxohept-3-en-4-yl]-5-methyl-7-thiophen-2-yl-7,8-dihydroindolizine-6,8-dicarboxylate Traditional Name: (7S,8S)-3-amino-2-cyano-1-[(Z)-2-hydroxy-1-propionyl-but-1-enyl]-5-methyl-7-(2-thienyl)-7,8-dihydroindolizine-6,8-dicarboxylic acid diethyl ester Formula: C27H31N3O6S MolecularWeight: 525.61654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=C2C(C(C(=C(N2C(=C1C#N)N)C)C(=O)OCC)C3=CC=CS3)C(=O)OCC)C(=O)CC)O

Isomeric SMILES

CC/C(=C(\C1=C2[C@H]([C@@H](C(=C(N2C(=C1C#N)N)C)C(=O)OCC)C3=CC=CS3)C(=O)OCC)/C(=O)CC)/O

InChI

InChI=1S/C27H31N3O6S/c1-6-16(31)21(17(32)7-2)20-15(13-28)25(29)30-14(5)19(26(33)35-8-3)22(18-11-10-12-37-18)23(24(20)30)27(34)36-9-4/h10-12,22-23,31H,6-9,29H2,1-5H3/b21-16+/t22-,23+/m1/s1