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

Systemtic Name: ethyl 5-aminocarbonyl-2-[[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H23BrN4O4S MolecularWeight: 471.36862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C(C)CN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C(C)CN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C18H23BrN4O4S/c1-6-27-18(26)12-9(3)14(15(20)24)28-17(12)21-16(25)8(2)7-23-11(5)13(19)10(4)22-23/h8H,6-7H2,1-5H3,(H2,20,24)(H,21,25)