ethyl 4-(1-adamantylcarbonyloxymethyl)-2-azanyl-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(1-adamantylcarbonyloxymethyl)-2-azanyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 4-(adamantane-1-carbonyloxymethyl)-2-amino-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 4-[[1-adamantyl(oxo)methoxy]methyl]-2-amino-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(adamantane-1-carbonyloxymethyl)-2-amino-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 4-(adamantane-1-carbonyloxymethyl)-2-amino-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC)N

InChI

InChI=1S/C21H28N2O5S/c1-3-27-19(25)15-14(16(18(24)23-2)29-17(15)22)10-28-20(26)21-7-11-4-12(8-21)6-13(5-11)9-21/h11-13H,3-10,22H2,1-2H3,(H,23,24)