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

Systemtic Name: ethyl 2-[2-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[3-(1-adamantyl)-1-phenylpyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C27H30N4O3S MolecularWeight: 490.6171

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C27H30N4O3S/c1-2-34-23(32)11-20-16-35-26(28-20)29-25(33)22-15-31(21-6-4-3-5-7-21)30-24(22)27-12-17-8-18(13-27)10-19(9-17)14-27/h3-7,15-19H,2,8-14H2,1H3,(H,28,29,33)