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

Systemtic Name: ethyl 5-[7-(1-adamantyl)-6-phenylmethoxycarbonyl-naphthalen-2-yl]thiophene-3-carboxylate Openeye Name: ethyl 5-[7-(1-adamantyl)-6-benzyloxycarbonyl-2-naphthyl]thiophene-3-carboxylate CAS Name: 5-[7-(1-adamantyl)-6-phenylmethoxycarbonyl-2-naphthalenyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[7-(1-adamantyl)-6-phenylmethoxycarbonylnaphthalen-2-yl]thiophene-3-carboxylate Traditional Name: 5-[7-(1-adamantyl)-6-carbobenzoxy-2-naphthyl]thiophene-3-carboxylic acid ethyl ester Formula: C35H34O4S MolecularWeight: 550.70706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H34O4S/c1-2-38-33(36)29-16-32(40-21-29)27-9-8-26-14-30(34(37)39-20-22-6-4-3-5-7-22)31(15-28(26)13-27)35-17-23-10-24(18-35)12-25(11-23)19-35/h3-9,13-16,21,23-25H,2,10-12,17-20H2,1H3