5-[2-[(2R)-2-[(E,3S)-4-naphthalen-2-yl-3-oxidanyl-but-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethylsulfanyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[2-[(2R)-2-[(E,3S)-4-naphthalen-2-yl-3-oxidanyl-but-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethylsulfanyl]thiophene-3-carboxylic acid Openeye Name: 5-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-(2-naphthyl)but-1-enyl]-5-oxo-pyrrolidin-1-yl]ethylsulfanyl]thiophene-3-carboxylic acid CAS Name: 5-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-(2-naphthalenyl)but-1-enyl]-5-oxo-1-pyrrolidinyl]ethylthio]-3-thiophenecarboxylic acid IUPAC Name: 5-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-naphthalen-2-ylbut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]thiophene-3-carboxylic acid Traditional Name: 5-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-(2-naphthyl)but-1-enyl]-5-keto-pyrrolidino]ethylthio]-3-thenoic acid Formula: C25H25NO4S2 MolecularWeight: 467.6003

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1C=CC(CC2=CC3=CC=CC=C3C=C2)O)CCSC4=CC(=CS4)C(=O)O

Isomeric SMILES

C1CC(=O)N([C@H]1/C=C/[C@H](CC2=CC3=CC=CC=C3C=C2)O)CCSC4=CC(=CS4)C(=O)O

InChI

InChI=1S/C25H25NO4S2/c27-22(14-17-5-6-18-3-1-2-4-19(18)13-17)9-7-21-8-10-23(28)26(21)11-12-31-24-15-20(16-32-24)25(29)30/h1-7,9,13,15-16,21-22,27H,8,10-12,14H2,(H,29,30)/b9-7+/t21-,22+/m0/s1