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

Systemtic Name: propyl 5-aminocarbonyl-2-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 5-carbamoyl-2-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 5-carbamoyl-2-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylic acid propyl ester Formula: C18H23N5O6S MolecularWeight: 437.47012

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H23N5O6S/c1-5-8-29-18(26)13-9(2)15(16(19)25)30-17(13)20-12(24)6-7-22-11(4)14(23(27)28)10(3)21-22/h5-8H2,1-4H3,(H2,19,25)(H,20,24)