methyl 5-[[4-[(3-chloranyl-4-methylsulfonyl-thiophen-2-yl)carbonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(3-chloranyl-4-methylsulfonyl-thiophen-2-yl)carbonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(3-chloro-4-methylsulfonyl-thiophene-2-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[(3-chloro-4-methylsulfonyl-2-thiophenyl)-oxomethyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(3-chloro-4-methylsulfonylthiophene-2-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(3-chloro-4-mesyl-thiophene-2-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C16H14ClN3O6S2 MolecularWeight: 443.88186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=O)C3=C(C(=CS3)S(=O)(=O)C)Cl

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=O)C3=C(C(=CS3)S(=O)(=O)C)Cl

InChI

InChI=1S/C16H14ClN3O6S2/c1-25-16(22)11-4-3-10(26-11)7-20-6-9(5-18-20)19-15(21)14-13(17)12(8-27-14)28(2,23)24/h3-6,8H,7H2,1-2H3,(H,19,21)