5-[[3-(1-adamantyl)-4-methoxy-phenyl]sulfanylmethyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[[3-(1-adamantyl)-4-methoxy-phenyl]sulfanylmethyl]thiophene-3-carboxylic acid Openeye Name: 5-[[3-(1-adamantyl)-4-methoxy-phenyl]sulfanylmethyl]thiophene-3-carboxylic acid CAS Name: 5-[[[3-(1-adamantyl)-4-methoxyphenyl]thio]methyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[[3-(1-adamantyl)-4-methoxyphenyl]sulfanylmethyl]thiophene-3-carboxylic acid Traditional Name: 5-[[[3-(1-adamantyl)-4-methoxy-phenyl]thio]methyl]-3-thenoic acid Formula: C23H26O3S2 MolecularWeight: 414.58074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC2=CC(=CS2)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)SCC2=CC(=CS2)C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H26O3S2/c1-26-21-3-2-18(28-13-19-7-17(12-27-19)22(24)25)8-20(21)23-9-14-4-15(10-23)6-16(5-14)11-23/h2-3,7-8,12,14-16H,4-6,9-11,13H2,1H3,(H,24,25)