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

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[2-(3-nitropyrazol-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C14H15N5O6S MolecularWeight: 381.3638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2C=CC(=N2)[N+](=O)[O-]

InChI

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