S-[4-[2-[4-(2-cyclopentylethynyl)-2,5-dimethoxy-phenyl]ethynyl]phenyl] ethanethioate

Systemtic Name: S-[4-[2-[4-(2-cyclopentylethynyl)-2,5-dimethoxy-phenyl]ethynyl]phenyl] ethanethioate Openeye Name: S-[4-[2-[4-(2-cyclopentylethynyl)-2,5-dimethoxy-phenyl]ethynyl]phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-[2-[4-(2-cyclopentylethynyl)-2,5-dimethoxyphenyl]ethynyl]phenyl] ester IUPAC Name: S-[4-[2-[4-(2-cyclopentylethynyl)-2,5-dimethoxyphenyl]ethynyl]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[2-[4-(2-cyclopentylethynyl)-2,5-dimethoxy-phenyl]ethynyl]phenyl] ester Formula: C25H19O3S MolecularWeight: 399.48156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC=C(C=C1)C#CC2=CC(=C(C=C2OC)C#C[C]3[CH][CH][CH][CH]3)OC

Isomeric SMILES

CC(=O)SC1=CC=C(C=C1)C#CC2=CC(=C(C=C2OC)C#C[C]3[CH][CH][CH][CH]3)OC

InChI

InChI=1S/C25H19O3S/c1-18(26)29-23-14-10-20(11-15-23)9-13-22-17-24(27-2)21(16-25(22)28-3)12-8-19-6-4-5-7-19/h4-7,10-11,14-17H,1-3H3