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

Systemtic Name: O2-ethyl O4-methyl 5-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C18H22N4O7S MolecularWeight: 438.45488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O7S/c1-6-29-18(25)15-9(2)13(17(24)28-5)16(30-15)19-12(23)7-8-21-11(4)14(22(26)27)10(3)20-21/h6-8H2,1-5H3,(H,19,23)