(4-methoxyphenyl)sulfanylmethyl 4-(1-adamantyl)thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCOC(=O)C2=CSC=C2C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)SCOC(=O)C2=CSC=C2C34CC5CC(C3)CC(C5)C4

InChI

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