methyl 5-[7-(1-adamantyl)-6-phenylmethoxy-naphthalen-2-yl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[7-(1-adamantyl)-6-phenylmethoxy-naphthalen-2-yl]thiophene-2-carboxylate Openeye Name: methyl 5-[7-(1-adamantyl)-6-benzyloxy-2-naphthyl]thiophene-2-carboxylate CAS Name: 5-[7-(1-adamantyl)-6-phenylmethoxy-2-naphthalenyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[7-(1-adamantyl)-6-phenylmethoxynaphthalen-2-yl]thiophene-2-carboxylate Traditional Name: 5-[7-(1-adamantyl)-6-benzoxy-2-naphthyl]thiophene-2-carboxylic acid methyl ester Formula: C33H32O3S MolecularWeight: 508.67038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)C2=CC3=CC(=C(C=C3C=C2)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

COC(=O)C1=CC=C(S1)C2=CC3=CC(=C(C=C3C=C2)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C33H32O3S/c1-35-32(34)31-10-9-30(37-31)26-8-7-25-16-29(36-20-21-5-3-2-4-6-21)28(15-27(25)14-26)33-17-22-11-23(18-33)13-24(12-22)19-33/h2-10,14-16,22-24H,11-13,17-20H2,1H3