methyl (2Z)-7,7-bis(methylsulfanyl)-5-oxidanyl-5-phenyl-3-pyrrolidin-1-yl-hepta-2,6-dienoate

Systemtic Name: methyl (2Z)-7,7-bis(methylsulfanyl)-5-oxidanyl-5-phenyl-3-pyrrolidin-1-yl-hepta-2,6-dienoate Openeye Name: methyl (2Z)-5-hydroxy-7,7-bis(methylsulfanyl)-5-phenyl-3-pyrrolidin-1-yl-hepta-2,6-dienoate CAS Name: (2Z)-5-hydroxy-7,7-bis(methylthio)-5-phenyl-3-(1-pyrrolidinyl)hepta-2,6-dienoic acid methyl ester IUPAC Name: methyl (2Z)-5-hydroxy-7,7-bis(methylsulfanyl)-5-phenyl-3-pyrrolidin-1-ylhepta-2,6-dienoate Traditional Name: (2Z)-5-hydroxy-7,7-bis(methylthio)-5-phenyl-3-pyrrolidino-hepta-2,6-dienoic acid methyl ester Formula: C20H27NO3S2 MolecularWeight: 393.56328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(CC(C=C(SC)SC)(C1=CC=CC=C1)O)N2CCCC2

Isomeric SMILES

COC(=O)/C=C(/CC(C=C(SC)SC)(C1=CC=CC=C1)O)\N2CCCC2

InChI

InChI=1S/C20H27NO3S2/c1-24-18(22)13-17(21-11-7-8-12-21)14-20(23,15-19(25-2)26-3)16-9-5-4-6-10-16/h4-6,9-10,13,15,23H,7-8,11-12,14H2,1-3H3/b17-13-