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

Systemtic Name: 2-(4-methoxyphenyl)ethynyl 4-(1-adamantyl)thiophene-3-carboxylate Openeye Name: 2-(4-methoxyphenyl)ethynyl 4-(1-adamantyl)thiophene-3-carboxylate CAS Name: 4-(1-adamantyl)-3-thiophenecarboxylic acid 2-(4-methoxyphenyl)ethynyl ester IUPAC Name: 2-(4-methoxyphenyl)ethynyl 4-(1-adamantyl)thiophene-3-carboxylate Traditional Name: 4-(1-adamantyl)thiophene-3-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=CSC=C2C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

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