ethyl 2-[[5-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[[5-nitro-2-(1-piperidyl)benzoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(5-nitro-2-piperidino-benzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C18H21N5O5S2 MolecularWeight: 451.51984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C18H21N5O5S2/c1-2-28-15(24)11-29-18-21-20-17(30-18)19-16(25)13-10-12(23(26)27)6-7-14(13)22-8-4-3-5-9-22/h6-7,10H,2-5,8-9,11H2,1H3,(H,19,20,25)