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

Systemtic Name: ethyl 3-nitro-5-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate Openeye Name: ethyl 3-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate Traditional Name: 3-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C17H20N4O5S/c1-4-10(5-2)15-19-20-17(27-15)18-14(22)11-7-12(16(23)26-6-3)9-13(8-11)21(24)25/h7-10H,4-6H2,1-3H3,(H,18,20,22)