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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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