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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Br)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Br)C

InChI

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