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

Systemtic Name: methyl 5-methyl-2-[2-(3-methyl-5-nitro-pyrazol-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[2-(3-methyl-5-nitro-pyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-(3-methyl-5-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-(3-methyl-5-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-(3-methyl-5-nitro-pyrazol-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C13H14N4O5S MolecularWeight: 338.33906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CN2C(=CC(=N2)C)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CN2C(=CC(=N2)C)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H14N4O5S/c1-7-4-11(17(20)21)16(15-7)6-10(18)14-12-9(13(19)22-3)5-8(2)23-12/h4-5H,6H2,1-3H3,(H,14,18)