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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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