ethyl 2-[2-(1-adamantylamino)ethanoylamino]-5-aminocarbonyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-adamantylamino)ethanoylamino]-5-aminocarbonyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-adamantylamino)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-adamantylamino)-1-oxoethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-adamantylamino)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(1-adamantylamino)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CNC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CNC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29N3O4S/c1-3-28-20(27)16-11(2)17(18(22)26)29-19(16)24-15(25)10-23-21-7-12-4-13(8-21)6-14(5-12)9-21/h12-14,23H,3-10H2,1-2H3,(H2,22,26)(H,24,25)