methyl 3-[[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-(4-chloro-3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=C(SC=C3)C(=O)OC)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=C(SC=C3)C(=O)OC)C)Cl

InChI

InChI=1S/C18H16ClN3O3S/c1-10-15(19)11(2)22(21-10)13-6-4-12(5-7-13)17(23)20-14-8-9-26-16(14)18(24)25-3/h4-9H,1-3H3,(H,20,23)