O2-ethyl O4-propan-2-yl 5-[2-(4-bromanyl-3-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propan-2-yl 5-[2-(4-bromanyl-3-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 5-[2-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-bromo-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propan-2-yl ester IUPAC Name: 2-O-ethyl 4-O-propan-2-yl 5-[2-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-isopropyl ester Formula: C19H24BrN3O5S MolecularWeight: 486.37996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)N2C=C(C(=N2)C)Br)C(=O)OC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)N2C=C(C(=N2)C)Br)C(=O)OC(C)C)C

InChI

InChI=1S/C19H24BrN3O5S/c1-7-27-19(26)15-10(4)14(18(25)28-9(2)3)17(29-15)21-16(24)12(6)23-8-13(20)11(5)22-23/h8-9,12H,7H2,1-6H3,(H,21,24)