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

Systemtic Name: propyl 5-aminocarbonyl-2-[[5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 2-[[5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 2-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furoyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid propyl ester Formula: C21H23BrN4O5S MolecularWeight: 523.40012

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C21H23BrN4O5S/c1-5-8-30-21(29)15-10(2)17(18(23)27)32-20(15)24-19(28)14-7-6-13(31-14)9-26-12(4)16(22)11(3)25-26/h6-7H,5,8-9H2,1-4H3,(H2,23,27)(H,24,28)