dimethyl 5-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCN2C(=C(C(=N2)C)[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCN2C(=C(C(=N2)C)[N+](=O)[O-])C)C(=O)OC

InChI

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