N-[5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzenecarboximidate

Systemtic Name: N-[5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzenecarboximidate Openeye Name: N-[5-(2-ethoxy-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholino-5-nitro-benzenecarboximidate CAS Name: N-[5-[(2-ethoxy-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]-2-(4-morpholinyl)-5-nitrobenzenecarboximidate IUPAC Name: N-[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-morpholin-4-yl-5-nitrobenzenecarboximidate Traditional Name: N-[5-[(2-ethoxy-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]-2-morpholino-5-nitro-benzenecarboximidate Formula: C17H18N5O6S2- MolecularWeight: 452.48472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)N=C(C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)[O-]

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)N=C(C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)[O-]

InChI

InChI=1S/C17H19N5O6S2/c1-2-28-14(23)10-29-17-20-19-16(30-17)18-15(24)12-9-11(22(25)26)3-4-13(12)21-5-7-27-8-6-21/h3-4,9H,2,5-8,10H2,1H3,(H,18,19,24)/p-1