ethyl 2-[2-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25N5O5S/c1-2-31-17(27)6-15-11-32-20(22-15)23-19(28)18-16(26(29)30)10-25(24-18)21-7-12-3-13(8-21)5-14(4-12)9-21/h10-14H,2-9H2,1H3,(H,22,23,28)