ethyl (Z)-7-[2-oxidanylidene-5-[(E)-3-oxidanyl-4-thiophen-2-yl-but-1-enyl]pyrrolidin-1-yl]hept-5-enoate

Systemtic Name: ethyl (Z)-7-[2-oxidanylidene-5-[(E)-3-oxidanyl-4-thiophen-2-yl-but-1-enyl]pyrrolidin-1-yl]hept-5-enoate Openeye Name: ethyl (Z)-7-[2-[(E)-3-hydroxy-4-(2-thienyl)but-1-enyl]-5-oxo-pyrrolidin-1-yl]hept-5-enoate CAS Name: (Z)-7-[2-[(E)-3-hydroxy-4-thiophen-2-ylbut-1-enyl]-5-oxo-1-pyrrolidinyl]-5-heptenoic acid ethyl ester IUPAC Name: ethyl (Z)-7-[2-[(E)-3-hydroxy-4-thiophen-2-ylbut-1-enyl]-5-oxopyrrolidin-1-yl]hept-5-enoate Traditional Name: (Z)-7-[2-[(E)-3-hydroxy-4-(2-thienyl)but-1-enyl]-5-keto-pyrrolidino]hept-5-enoic acid ethyl ester Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC=CCN1C(CCC1=O)C=CC(CC2=CC=CS2)O

Isomeric SMILES

CCOC(=O)CCC/C=C\CN1C(CCC1=O)/C=C/C(CC2=CC=CS2)O

InChI

InChI=1S/C21H29NO4S/c1-2-26-21(25)9-5-3-4-6-14-22-17(11-13-20(22)24)10-12-18(23)16-19-8-7-15-27-19/h4,6-8,10,12,15,17-18,23H,2-3,5,9,11,13-14,16H2,1H3/b6-4-,12-10+