methyl 5-[[3-(1-adamantyl)-4-methoxy-phenyl]sulfanylmethyl]thiophene-3-carboxylate

Systemtic Name: methyl 5-[[3-(1-adamantyl)-4-methoxy-phenyl]sulfanylmethyl]thiophene-3-carboxylate Openeye Name: methyl 5-[[3-(1-adamantyl)-4-methoxy-phenyl]sulfanylmethyl]thiophene-3-carboxylate CAS Name: 5-[[[3-(1-adamantyl)-4-methoxyphenyl]thio]methyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(1-adamantyl)-4-methoxyphenyl]sulfanylmethyl]thiophene-3-carboxylate Traditional Name: 5-[[[3-(1-adamantyl)-4-methoxy-phenyl]thio]methyl]thiophene-3-carboxylic acid methyl ester Formula: C24H28O3S2 MolecularWeight: 428.60732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28O3S2/c1-26-22-4-3-19(29-14-20-8-18(13-28-20)23(25)27-2)9-21(22)24-10-15-5-16(11-24)7-17(6-15)12-24/h3-4,8-9,13,15-17H,5-7,10-12,14H2,1-2H3