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

Systemtic Name: ethyl 2-[2-[2-(4-nitropyrazol-1-yl)butanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(4-nitropyrazol-1-yl)butanoylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[2-(4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-nitropyrazol-1-yl)butanoylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[2-(4-nitropyrazol-1-yl)butanoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C14H17N5O5S MolecularWeight: 367.38028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O5S/c1-3-11(18-7-10(6-15-18)19(22)23)13(21)17-14-16-9(8-25-14)5-12(20)24-4-2/h6-8,11H,3-5H2,1-2H3,(H,16,17,21)