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

Systemtic Name: ethyl 2-[2-(1-adamantylcarbonyloxy)propanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(adamantane-1-carbonyloxy)propanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[1-adamantyl(oxo)methoxy]-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(adamantane-1-carbonyloxy)propanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[2-(adamantane-1-carbonyloxy)propanoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H31NO5S MolecularWeight: 481.60374

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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)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31NO5S/c1-3-32-25(30)21-12-22(20-7-5-4-6-8-20)34-24(21)28-23(29)16(2)33-26(31)27-13-17-9-18(14-27)11-19(10-17)15-27/h4-8,12,16-19H,3,9-11,13-15H2,1-2H3,(H,28,29)