ethyl 5-aminocarbonyl-2-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H21BrN4O4S MolecularWeight: 457.34204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C(C)N2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C(C)N2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C17H21BrN4O4S/c1-6-26-17(25)11-7(2)13(14(19)23)27-16(11)20-15(24)10(5)22-9(4)12(18)8(3)21-22/h10H,6H2,1-5H3,(H2,19,23)(H,20,24)