ethyl 2-[2-[2-(4-nitropyrazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(4-nitropyrazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(4-nitropyrazol-1-yl)propanoylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[2-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-nitropyrazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[2-(4-nitropyrazol-1-yl)propanoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C13H15N5O5S MolecularWeight: 353.3537

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C(C)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C(C)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O5S/c1-3-23-11(19)4-9-7-24-13(15-9)16-12(20)8(2)17-6-10(5-14-17)18(21)22/h5-8H,3-4H2,1-2H3,(H,15,16,20)