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

Systemtic Name: O2-ethyl O4-methyl 3-methyl-5-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 3-methyl-5-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-methyl-3-(5-methyl-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 3-methyl-5-[[2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanoyl]amino]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)C(C)CN2C(=CC(=N2)[N+](=O)[O-])C)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)CN2C(=CC(=N2)[N+](=O)[O-])C)C(=O)OC)C

InChI

InChI=1S/C18H22N4O7S/c1-6-29-18(25)14-11(4)13(17(24)28-5)16(30-14)19-15(23)9(2)8-21-10(3)7-12(20-21)22(26)27/h7,9H,6,8H2,1-5H3,(H,19,23)