methyl 5-aminocarbonyl-4-methyl-2-[2-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-4-methyl-2-[2-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-4-methyl-2-[2-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-4-methyl-2-[2-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[2-(4-nitropyrazol-1-yl)propanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C14H15N5O6S MolecularWeight: 381.3638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)N2C=C(C=N2)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)N2C=C(C=N2)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C14H15N5O6S/c1-6-9(14(22)25-3)13(26-10(6)11(15)20)17-12(21)7(2)18-5-8(4-16-18)19(23)24/h4-5,7H,1-3H3,(H2,15,20)(H,17,21)