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

Systemtic Name: ethyl 2-[[5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(3-nitro-4-pyrrolidino-benzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C17H19N5O5S2 MolecularWeight: 437.49326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O5S2/c1-2-27-14(23)10-28-17-20-19-16(29-17)18-15(24)11-5-6-12(13(9-11)22(25)26)21-7-3-4-8-21/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19,24)