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

Systemtic Name: ethyl 5-[7-(1-adamantyl)-6-methoxy-naphthalen-2-yl]thiophene-3-carboxylate Openeye Name: ethyl 5-[7-(1-adamantyl)-6-methoxy-2-naphthyl]thiophene-3-carboxylate CAS Name: 5-[7-(1-adamantyl)-6-methoxy-2-naphthalenyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[7-(1-adamantyl)-6-methoxynaphthalen-2-yl]thiophene-3-carboxylate Traditional Name: 5-[7-(1-adamantyl)-6-methoxy-2-naphthyl]thiophene-3-carboxylic acid ethyl ester Formula: C28H30O3S MolecularWeight: 446.601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30O3S/c1-3-31-27(29)23-12-26(32-16-23)21-5-4-20-11-25(30-2)24(10-22(20)9-21)28-13-17-6-18(14-28)8-19(7-17)15-28/h4-5,9-12,16-19H,3,6-8,13-15H2,1-2H3