S-[dideuterio-[3-[(3-ethynyl-5-methanoyl-phenoxy)methyl]phenyl]methyl] ethanethioate

Systemtic Name: S-[dideuterio-[3-[(3-ethynyl-5-methanoyl-phenoxy)methyl]phenyl]methyl] ethanethioate Openeye Name: S-[dideuterio-[3-[(3-ethynyl-5-formyl-phenoxy)methyl]phenyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[dideuterio-[3-[(3-ethynyl-5-formylphenoxy)methyl]phenyl]methyl] ester IUPAC Name: S-[dideuterio-[3-[(3-ethynyl-5-formylphenoxy)methyl]phenyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[dideuterio-[3-[(3-ethynyl-5-formyl-phenoxy)methyl]phenyl]methyl] ester Formula: C19H16O3S MolecularWeight: 326.405864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC=CC(=C1)COC2=CC(=CC(=C2)C=O)C#C

Isomeric SMILES

[2H]C([2H])(C1=CC=CC(=C1)COC2=CC(=CC(=C2)C=O)C#C)SC(=O)C

InChI

InChI=1S/C19H16O3S/c1-3-15-7-18(11-20)10-19(9-15)22-12-16-5-4-6-17(8-16)13-23-14(2)21/h1,4-11H,12-13H2,2H3/i13D2