propyl 5-aminocarbonyl-2-[2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: propyl 5-aminocarbonyl-2-[2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 5-carbamoyl-2-[[2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 5-carbamoyl-2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid propyl ester Formula: C16H18ClN5O6S MolecularWeight: 443.86202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5O6S/c1-4-5-28-16(25)10-7(2)12(13(18)24)29-15(10)19-9(23)6-21-8(3)11(17)14(20-21)22(26)27/h4-6H2,1-3H3,(H2,18,24)(H,19,23)