2-(4-methoxyphenyl)-2-phenylsulfanyl-1-[(2S)-2-[(Z)-3-phenylsulfanylprop-2-enyl]pyrrolidin-1-yl]ethanone

Systemtic Name: 2-(4-methoxyphenyl)-2-phenylsulfanyl-1-[(2S)-2-[(Z)-3-phenylsulfanylprop-2-enyl]pyrrolidin-1-yl]ethanone Openeye Name: 2-(4-methoxyphenyl)-2-phenylsulfanyl-1-[(2S)-2-[(Z)-3-phenylsulfanylallyl]pyrrolidin-1-yl]ethanone CAS Name: 2-(4-methoxyphenyl)-2-(phenylthio)-1-[(2S)-2-[(Z)-3-(phenylthio)prop-2-enyl]-1-pyrrolidinyl]ethanone IUPAC Name: 2-(4-methoxyphenyl)-2-phenylsulfanyl-1-[(2S)-2-[(Z)-3-phenylsulfanylprop-2-enyl]pyrrolidin-1-yl]ethanone Traditional Name: 2-(4-methoxyphenyl)-2-(phenylthio)-1-[(2S)-2-[(Z)-3-(phenylthio)allyl]pyrrolidino]ethanone Formula: C28H29NO2S2 MolecularWeight: 475.66536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(=O)N2CCCC2CC=CSC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(C(=O)N2CCC[C@H]2C/C=C\SC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C28H29NO2S2/c1-31-24-18-16-22(17-19-24)27(33-26-14-6-3-7-15-26)28(30)29-20-8-10-23(29)11-9-21-32-25-12-4-2-5-13-25/h2-7,9,12-19,21,23,27H,8,10-11,20H2,1H3/b21-9-/t23-,27?/m0/s1