4-[(1S,2S)-2-methylsulfanyl-1-oxidanyl-2-[(4S)-2-oxidanylidene-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]benzenecarbonitrile

Systemtic Name: 4-[(1S,2S)-2-methylsulfanyl-1-oxidanyl-2-[(4S)-2-oxidanylidene-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]benzenecarbonitrile Openeye Name: 4-[(1S,2S)-1-hydroxy-2-[(4S)-4-isopropyl-2-oxo-5,5-diphenyl-oxazolidin-3-yl]-2-methylsulfanyl-ethyl]benzonitrile CAS Name: 4-[(1S,2S)-1-hydroxy-2-(methylthio)-2-[(4S)-2-oxo-5,5-diphenyl-4-propan-2-yl-3-oxazolidinyl]ethyl]benzonitrile IUPAC Name: 4-[(1S,2S)-1-hydroxy-2-methylsulfanyl-2-[(4S)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]benzonitrile Traditional Name: 4-[(1S,2S)-1-hydroxy-2-[(4S)-4-isopropyl-2-keto-5,5-diphenyl-oxazolidin-3-yl]-2-(methylthio)ethyl]benzonitrile Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(OC(=O)N1C(C(C2=CC=C(C=C2)C#N)O)SC)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)[C@H]1C(OC(=O)N1[C@H]([C@H](C2=CC=C(C=C2)C#N)O)SC)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O3S/c1-19(2)25-28(22-10-6-4-7-11-22,23-12-8-5-9-13-23)33-27(32)30(25)26(34-3)24(31)21-16-14-20(18-29)15-17-21/h4-17,19,24-26,31H,1-3H3/t24-,25-,26-/m0/s1