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

Systemtic Name: methyl 4-aminocarbonyl-5-[[5-[(4-bromanylpyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-carbamoyl-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[5-[(4-bromo-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-4-carbamoyl-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-carbamoyl-3-methylthiophene-2-carboxylate Traditional Name: 5-[[5-[(4-bromopyrazol-1-yl)methyl]-2-furoyl]amino]-4-carbamoyl-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C17H15BrN4O5S MolecularWeight: 467.2938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN4O5S/c1-8-12(14(19)23)16(28-13(8)17(25)26-2)21-15(24)11-4-3-10(27-11)7-22-6-9(18)5-20-22/h3-6H,7H2,1-2H3,(H2,19,23)(H,21,24)