ethyl 3-azanyl-2-[5-(4-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]-3-sulfanylidene-propanoate

Systemtic Name: ethyl 3-azanyl-2-[5-(4-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]-3-sulfanylidene-propanoate Openeye Name: ethyl 3-amino-2-[5-(4-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]-3-thioxo-propanoate CAS Name: 3-amino-2-[5-(4-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]-3-sulfanylidenepropanoic acid ethyl ester IUPAC Name: ethyl 3-amino-2-[5-(4-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]-3-sulfanylidenepropanoate Traditional Name: 3-amino-2-[5-(4-nitrophenyl)-3H-1,3,4-oxadiazol-2-ylidene]-3-thioxo-propionic acid ethyl ester Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])C(=S)N

Isomeric SMILES

CCOC(=O)C(=C1NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])C(=S)N

InChI

InChI=1S/C13H12N4O5S/c1-2-21-13(18)9(10(14)23)12-16-15-11(22-12)7-3-5-8(6-4-7)17(19)20/h3-6,16H,2H2,1H3,(H2,14,23)