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

Systemtic Name: O2-methyl O4-propyl 5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-methyl O4-propyl 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-methyl ester O4-propyl ester IUPAC Name: 2-O-methyl 4-O-propyl 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-methyl ester O4-propyl ester Formula: C31H35N3O5S MolecularWeight: 561.6917

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C31H35N3O5S/c1-4-10-39-29(36)24-18(2)25(30(37)38-3)40-28(24)32-27(35)23-17-34(22-8-6-5-7-9-22)33-26(23)31-14-19-11-20(15-31)13-21(12-19)16-31/h5-9,17,19-21H,4,10-16H2,1-3H3,(H,32,35)