ethyl 2-[2-[2-(1-adamantyl)ethanoyloxy]propanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[2-(1-adamantyl)ethanoyloxy]propanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[2-(1-adamantyl)acetyl]oxypropanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[2-(1-adamantyl)-1-oxoethoxy]-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(1-adamantyl)acetyl]oxypropanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[2-(1-adamantyl)acetyl]oxypropanoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H33NO5S MolecularWeight: 495.63032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)OC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)OC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H33NO5S/c1-3-33-27(32)22-12-23(21-7-5-4-6-8-21)35-26(22)29-25(31)17(2)34-24(30)16-28-13-18-9-19(14-28)11-20(10-18)15-28/h4-8,12,17-20H,3,9-11,13-16H2,1-2H3,(H,29,31)