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

Systemtic Name: propan-2-yl 2-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-5-aminocarbonyl-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C30H34N4O4S MolecularWeight: 546.68036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C30H34N4O4S/c1-16(2)38-29(37)23-17(3)24(26(31)35)39-28(23)32-27(36)22-15-34(21-7-5-4-6-8-21)33-25(22)30-12-18-9-19(13-30)11-20(10-18)14-30/h4-8,15-16,18-20H,9-14H2,1-3H3,(H2,31,35)(H,32,36)