methyl 5-[3-(1-adamantylcarbonylamino)propanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[3-(1-adamantylcarbonylamino)propanoylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[3-(adamantane-1-carbonylamino)propanoylamino]thiophene-2-carboxylate CAS Name: 5-[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-(adamantane-1-carbonylamino)propanoylamino]thiophene-2-carboxylate Traditional Name: 5-[3-(adamantane-1-carbonylamino)propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC=C(S1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26N2O4S/c1-26-18(24)15-2-3-17(27-15)22-16(23)4-5-21-19(25)20-9-12-6-13(10-20)8-14(7-12)11-20/h2-3,12-14H,4-11H2,1H3,(H,21,25)(H,22,23)