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

Systemtic Name: methyl 3-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-oxomethyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H17N5O6S MolecularWeight: 455.44388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H17N5O6S/c1-3-16-23-24-20(32-16)22-18(27)14-6-4-5-7-15(14)21-17(26)11-8-12(19(28)31-2)10-13(9-11)25(29)30/h4-10H,3H2,1-2H3,(H,21,26)(H,22,24,27)