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

Systemtic Name: O2-ethyl O4-propan-2-yl 5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 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-propan-2-yl ester IUPAC Name: 2-O-ethyl 4-O-propan-2-yl 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-isopropyl ester Formula: C32H37N3O5S MolecularWeight: 575.71828

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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)C)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)C)C

InChI

InChI=1S/C32H37N3O5S/c1-5-39-31(38)26-19(4)25(30(37)40-18(2)3)29(41-26)33-28(36)24-17-35(23-9-7-6-8-10-23)34-27(24)32-14-20-11-21(15-32)13-22(12-20)16-32/h6-10,17-18,20-22H,5,11-16H2,1-4H3,(H,33,36)