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

Systemtic Name: ethyl 2-[2-[3-(4-nitropyrazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[3-(4-nitropyrazol-1-yl)propanoylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(4-nitropyrazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[3-(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)CCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O5S/c1-2-23-12(20)5-9-8-24-13(15-9)16-11(19)3-4-17-7-10(6-14-17)18(21)22/h6-8H,2-5H2,1H3,(H,15,16,19)