ethyl 2-(1-adamantylcarbonylamino)-5-[(2-fluorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1-adamantylcarbonylamino)-5-[(2-fluorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(adamantane-1-carbonylamino)-5-[(2-fluorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-5-[(2-fluoroanilino)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-1-carbonylamino)-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-5-[(2-fluorophenyl)carbamoyl]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H29FN2O4S MolecularWeight: 484.582863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2F)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2F)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H29FN2O4S/c1-3-33-24(31)20-14(2)21(22(30)28-19-7-5-4-6-18(19)27)34-23(20)29-25(32)26-11-15-8-16(12-26)10-17(9-15)13-26/h4-7,15-17H,3,8-13H2,1-2H3,(H,28,30)(H,29,32)