ethyl 2-[2-(1-adamantyl)ethanoylamino]-4-(2,4-dichlorophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-adamantyl)ethanoylamino]-4-(2,4-dichlorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(2,4-dichlorophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]-4-(2,4-dichlorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(2,4-dichlorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]-4-(2,4-dichlorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H27Cl2NO3S MolecularWeight: 492.45778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)Cl)Cl)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)Cl)Cl)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H27Cl2NO3S/c1-2-31-24(30)22-19(18-4-3-17(26)8-20(18)27)13-32-23(22)28-21(29)12-25-9-14-5-15(10-25)7-16(6-14)11-25/h3-4,8,13-16H,2,5-7,9-12H2,1H3,(H,28,29)