methyl 5-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]thiophene-2-carboxylate Openeye Name: methyl 5-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]thiophene-2-carboxylate CAS Name: 5-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]thiophene-2-carboxylate Traditional Name: 5-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]thiophene-2-carboxylic acid methyl ester Formula: C28H32O5S MolecularWeight: 480.61568

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOC1=C(C=C(C=C1)C#CC2=CC=C(S2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(OC)OCOC1=C(C=C(C=C1)C#CC2=CC=C(S2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H32O5S/c1-18(30-2)32-17-33-25-8-5-19(4-6-23-7-9-26(34-23)27(29)31-3)13-24(25)28-14-20-10-21(15-28)12-22(11-20)16-28/h5,7-9,13,18,20-22H,10-12,14-17H2,1-3H3