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

Systemtic Name: methyl 2-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C15H18N4O5S MolecularWeight: 366.39222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C)C(=O)OC

InChI

InChI=1S/C15H18N4O5S/c1-8-7-11(15(21)24-4)14(25-8)16-12(20)5-6-18-10(3)13(19(22)23)9(2)17-18/h7H,5-6H2,1-4H3,(H,16,20)