2-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]benzenecarbonitrile

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]benzenecarbonitrile Openeye Name: 2-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl]benzonitrile CAS Name: 2-[2-[(4-chlorophenyl)thio]ethoxy]-3-methoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)-2-oxolanyl]benzonitrile IUPAC Name: 2-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]benzonitrile Traditional Name: 2-[2-[(4-chlorophenyl)thio]ethoxy]-3-methoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl]benzonitrile Formula: C29H30ClNO6S MolecularWeight: 556.0696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CCC(O2)C3=CC(=C(C(=C3)C#N)OCCSC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@@H]2CC[C@H](O2)C3=CC(=C(C(=C3)C#N)OCCSC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C29H30ClNO6S/c1-32-25-14-18(13-20(17-31)28(25)36-11-12-38-22-7-5-21(30)6-8-22)23-9-10-24(37-23)19-15-26(33-2)29(35-4)27(16-19)34-3/h5-8,13-16,23-24H,9-12H2,1-4H3/t23-,24-/m0/s1