methyl 2-[4-[(5R)-2-oxidanylidene-5-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]pyrrolidin-1-yl]butylsulfanyl]ethanoate

Systemtic Name: methyl 2-[4-[(5R)-2-oxidanylidene-5-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]pyrrolidin-1-yl]butylsulfanyl]ethanoate Openeye Name: methyl 2-[4-[(2R)-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-5-oxo-pyrrolidin-1-yl]butylsulfanyl]acetate CAS Name: 2-[4-[(2R)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-5-oxo-1-pyrrolidinyl]butylthio]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(2R)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetate Traditional Name: 2-[4-[(2R)-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-5-keto-pyrrolidino]butylthio]acetic acid methyl ester Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCCCCN1C(CCC1=O)C=CC(CC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)CSCCCCN1[C@H](CCC1=O)/C=C/C(CC2=CC=CC=C2)O

InChI

InChI=1S/C21H29NO4S/c1-26-21(25)16-27-14-6-5-13-22-18(10-12-20(22)24)9-11-19(23)15-17-7-3-2-4-8-17/h2-4,7-9,11,18-19,23H,5-6,10,12-16H2,1H3/b11-9+/t18-,19?/m0/s1