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

Systemtic Name: O2-methyl O4-propyl 5-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-methyl O4-propyl 5-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-methyl ester O4-propyl ester IUPAC Name: 2-O-methyl 4-O-propyl 5-[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-methyl ester O4-propyl ester Formula: C18H22N4O8S MolecularWeight: 454.45428

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C(C)N2C=C(C(=N2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C(C)N2C=C(C(=N2)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O8S/c1-6-7-30-17(24)12-9(2)13(18(25)29-5)31-16(12)19-14(23)10(3)21-8-11(22(26)27)15(20-21)28-4/h8,10H,6-7H2,1-5H3,(H,19,23)