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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CCN2C(=C(C(=N2)C)Br)C)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CCN2C(=C(C(=N2)C)Br)C)C(=O)N

InChI

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