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

Systemtic Name: O2-ethyl O4-propan-2-yl 5-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 5-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(4-bromo-3-nitro-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-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-isopropyl ester Formula: C18H21BrN4O7S MolecularWeight: 517.35094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)C(=O)OC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)C(=O)OC(C)C)C

InChI

InChI=1S/C18H21BrN4O7S/c1-5-29-18(26)14-10(4)13(17(25)30-9(2)3)16(31-14)20-12(24)6-7-22-8-11(19)15(21-22)23(27)28/h8-9H,5-7H2,1-4H3,(H,20,24)