methyl 3-[[1-(4-chlorophenyl)carbonyl-3-methyl-pyrazol-4-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[1-(4-chlorophenyl)carbonyl-3-methyl-pyrazol-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-(4-chlorobenzoyl)-3-methyl-pyrazole-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[1-[(4-chlorophenyl)-oxomethyl]-3-methyl-4-pyrazolyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(4-chlorobenzoyl)-3-methylpyrazole-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[1-(4-chlorobenzoyl)-3-methyl-pyrazole-4-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H14ClN3O4S MolecularWeight: 403.83946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)NC2=C(SC=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C=C1C(=O)NC2=C(SC=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClN3O4S/c1-10-13(16(23)20-14-7-8-27-15(14)18(25)26-2)9-22(21-10)17(24)11-3-5-12(19)6-4-11/h3-9H,1-2H3,(H,20,23)