ethyl 5-[7-(1-adamantyl)-6-oxidanyl-naphthalen-2-yl]thiophene-3-carboxylate

Systemtic Name: ethyl 5-[7-(1-adamantyl)-6-oxidanyl-naphthalen-2-yl]thiophene-3-carboxylate Openeye Name: ethyl 5-[7-(1-adamantyl)-6-hydroxy-2-naphthyl]thiophene-3-carboxylate CAS Name: 5-[7-(1-adamantyl)-6-hydroxy-2-naphthalenyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[7-(1-adamantyl)-6-hydroxynaphthalen-2-yl]thiophene-3-carboxylate Traditional Name: 5-[7-(1-adamantyl)-6-hydroxy-2-naphthyl]thiophene-3-carboxylic acid ethyl ester Formula: C27H28O3S MolecularWeight: 432.57442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=C1)C2=CC3=CC(=C(C=C3C=C2)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC(=O)C1=CSC(=C1)C2=CC3=CC(=C(C=C3C=C2)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H28O3S/c1-2-30-26(29)22-11-25(31-15-22)20-4-3-19-10-24(28)23(9-21(19)8-20)27-12-16-5-17(13-27)7-18(6-16)14-27/h3-4,8-11,15-18,28H,2,5-7,12-14H2,1H3