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

Systemtic Name: methyl 5-methyl-2-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-(5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[2-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[2-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C15H18N4O5S MolecularWeight: 366.39222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(S1)C)C(=O)OC)N2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(S1)C)C(=O)OC)N2C(=CC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C15H18N4O5S/c1-5-11(18-8(2)6-12(17-18)19(22)23)13(20)16-14-10(15(21)24-4)7-9(3)25-14/h6-7,11H,5H2,1-4H3,(H,16,20)