ethyl 2-[2-(1-adamantylamino)ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-adamantylamino)ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-adamantylamino)acetyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-adamantylamino)-1-oxoethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-adamantylamino)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-(1-adamantylamino)acetyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H32N2O3S MolecularWeight: 404.56608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CNC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CNC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32N2O3S/c1-4-27-21(26)17-8-18(13(2)3)28-20(17)24-19(25)12-23-22-9-14-5-15(10-22)7-16(6-14)11-22/h8,13-16,23H,4-7,9-12H2,1-3H3,(H,24,25)