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

Systemtic Name: methyl 3-[[5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=C(SC=C3)C(=O)OC)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=C(SC=C3)C(=O)OC)C)Br

InChI

InChI=1S/C17H16BrN3O4S/c1-9-14(18)10(2)21(20-9)8-11-4-5-13(25-11)16(22)19-12-6-7-26-15(12)17(23)24-3/h4-7H,8H2,1-3H3,(H,19,22)