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

Systemtic Name: methyl 5-aminocarbonyl-4-methyl-2-[2-(3-nitropyrazol-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-(3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C13H13N5O6S MolecularWeight: 367.33722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C=CC(=N2)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C=CC(=N2)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C13H13N5O6S/c1-6-9(13(21)24-2)12(25-10(6)11(14)20)15-8(19)5-17-4-3-7(16-17)18(22)23/h3-4H,5H2,1-2H3,(H2,14,20)(H,15,19)