ethyl 2-[4-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[4-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H21ClN4O6S MolecularWeight: 456.90054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCCN2C(=C(C(=N2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCCN2C(=C(C(=N2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C18H21ClN4O6S/c1-5-29-18(26)13-9(2)15(11(4)24)30-17(13)20-12(25)7-6-8-22-10(3)14(19)16(21-22)23(27)28/h5-8H2,1-4H3,(H,20,25)