ethyl 2-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-5-aminocarbonyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-5-aminocarbonyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(1-adamantyl)-1-phenylpyrazole-4-carbonyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H32N4O4S MolecularWeight: 532.65378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O4S/c1-3-37-28(36)22-16(2)23(25(30)34)38-27(22)31-26(35)21-15-33(20-7-5-4-6-8-20)32-24(21)29-12-17-9-18(13-29)11-19(10-17)14-29/h4-8,15,17-19H,3,9-14H2,1-2H3,(H2,30,34)(H,31,35)