2-(4-methoxyphenyl)ethynyl 3-(1-adamantyl)thiophene-2-carboxylate

Systemtic Name: 2-(4-methoxyphenyl)ethynyl 3-(1-adamantyl)thiophene-2-carboxylate Openeye Name: 2-(4-methoxyphenyl)ethynyl 3-(1-adamantyl)thiophene-2-carboxylate CAS Name: 3-(1-adamantyl)-2-thiophenecarboxylic acid 2-(4-methoxyphenyl)ethynyl ester IUPAC Name: 2-(4-methoxyphenyl)ethynyl 3-(1-adamantyl)thiophene-2-carboxylate Traditional Name: 3-(1-adamantyl)thiophene-2-carboxylic acid 2-(4-methoxyphenyl)ethynyl ester Formula: C24H24O3S MolecularWeight: 392.51056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#COC(=O)C2=C(C=CS2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)C#COC(=O)C2=C(C=CS2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H24O3S/c1-26-20-4-2-16(3-5-20)6-8-27-23(25)22-21(7-9-28-22)24-13-17-10-18(14-24)12-19(11-17)15-24/h2-5,7,9,17-19H,10-15H2,1H3