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

Systemtic Name: methyl 5-aminocarbonyl-2-[2-(4-bromanylpyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-bromopyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-bromopyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[2-(4-bromopyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H15BrN4O4S MolecularWeight: 415.2623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)N2C=C(C=N2)Br)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)N2C=C(C=N2)Br)C(=O)N

InChI

InChI=1S/C14H15BrN4O4S/c1-6-9(14(22)23-3)13(24-10(6)11(16)20)18-12(21)7(2)19-5-8(15)4-17-19/h4-5,7H,1-3H3,(H2,16,20)(H,18,21)