methyl 4-[2-(1-adamantylcarbonylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-(1-adamantylcarbonylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-(adamantane-1-carbonylamino)thiazol-4-yl]-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[[1-adamantyl(oxo)methyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(adamantane-1-carbonylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(adamantane-1-carbonylamino)thiazol-4-yl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)C2=CSC(=N2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC(=CN1)C2=CSC(=N2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H23N3O3S/c1-26-17(24)15-5-14(9-21-15)16-10-27-19(22-16)23-18(25)20-6-11-2-12(7-20)4-13(3-11)8-20/h5,9-13,21H,2-4,6-8H2,1H3,(H,22,23,25)