ethyl 3-[[5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[5-(2-ethoxy-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[5-[(2-ethoxy-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-[(2-ethoxy-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C16H16N4O7S2 MolecularWeight: 440.45084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O7S2/c1-3-26-12(21)8-28-16-19-18-15(29-16)17-13(22)9-5-10(14(23)27-4-2)7-11(6-9)20(24)25/h5-7H,3-4,8H2,1-2H3,(H,17,18,22)