methyl 3-[4-(1-adamantylcarbonylamino)butanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(1-adamantylcarbonylamino)butanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[4-(adamantane-1-carbonylamino)butanoylamino]thiophene-2-carboxylate CAS Name: 3-[[4-[[1-adamantyl(oxo)methyl]amino]-1-oxobutyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(adamantane-1-carbonylamino)butanoylamino]thiophene-2-carboxylate Traditional Name: 3-[4-(adamantane-1-carbonylamino)butanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N2O4S/c1-27-19(25)18-16(4-6-28-18)23-17(24)3-2-5-22-20(26)21-10-13-7-14(11-21)9-15(8-13)12-21/h4,6,13-15H,2-3,5,7-12H2,1H3,(H,22,26)(H,23,24)