dimethyl 5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-(1-adamantyl)-1-phenylpyrazole-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C29H31N3O5S MolecularWeight: 533.63854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C(=O)OC

InChI

InChI=1S/C29H31N3O5S/c1-16-22(27(34)36-2)26(38-23(16)28(35)37-3)30-25(33)21-15-32(20-7-5-4-6-8-20)31-24(21)29-12-17-9-18(13-29)11-19(10-17)14-29/h4-8,15,17-19H,9-14H2,1-3H3,(H,30,33)