methyl 6-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[3-(1-adamantyl)-1-phenylpyrazole-4-carbonyl]amino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C30H28ClN3O3S MolecularWeight: 546.07962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7)Cl

InChI

InChI=1S/C30H28ClN3O3S/c1-37-29(36)26-25(31)22-8-7-20(12-24(22)38-26)32-28(35)23-16-34(21-5-3-2-4-6-21)33-27(23)30-13-17-9-18(14-30)11-19(10-17)15-30/h2-8,12,16-19H,9-11,13-15H2,1H3,(H,32,35)