ethyl 5-phenyl-3-[2-[(3-phenyl-1-adamantyl)carbonyloxy]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-phenyl-3-[2-[(3-phenyl-1-adamantyl)carbonyloxy]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-phenyl-3-[[2-(3-phenyladamantane-1-carbonyl)oxyacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-[oxo-(3-phenyl-1-adamantyl)methoxy]ethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-3-[[2-(3-phenyladamantane-1-carbonyl)oxyacetyl]amino]thiophene-2-carboxylate Traditional Name: 5-phenyl-3-[[2-(3-phenyladamantane-1-carbonyl)oxyacetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C32H33NO5S MolecularWeight: 543.67312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)C6=CC=CC=C6

InChI

InChI=1S/C32H33NO5S/c1-2-37-29(35)28-25(14-26(39-28)23-9-5-3-6-10-23)33-27(34)19-38-30(36)32-17-21-13-22(18-32)16-31(15-21,20-32)24-11-7-4-8-12-24/h3-12,14,21-22H,2,13,15-20H2,1H3,(H,33,34)