methyl 3-[[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C14H14N4O6S2 MolecularWeight: 398.41416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COCCSC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H14N4O6S2/c1-23-3-4-25-14-17-16-13(26-14)15-11(19)8-5-9(12(20)24-2)7-10(6-8)18(21)22/h5-7H,3-4H2,1-2H3,(H,15,16,19)