methyl 3-chloranyl-6-[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H13Cl2N3O3S MolecularWeight: 446.30652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H13Cl2N3O3S/c1-28-20(27)18-17(22)13-7-6-12(8-16(13)29-18)23-19(26)15-9-14(24-25-15)10-2-4-11(21)5-3-10/h2-9H,1H3,(H,23,26)(H,24,25)