O2-ethyl O4-methyl 5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 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 O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 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 O2-ethyl ester O4-methyl ester Formula: C30H33N3O5S MolecularWeight: 547.66512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C(=O)OC)C

InChI

InChI=1S/C30H33N3O5S/c1-4-38-29(36)24-17(2)23(28(35)37-3)27(39-24)31-26(34)22-16-33(21-8-6-5-7-9-21)32-25(22)30-13-18-10-19(14-30)12-20(11-18)15-30/h5-9,16,18-20H,4,10-15H2,1-3H3,(H,31,34)