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

Systemtic Name: ethyl 3-nitro-5-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate Openeye Name: ethyl 3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate Traditional Name: 3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C15H16N4O5S MolecularWeight: 364.37634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O5S/c1-4-24-14(21)10-5-9(6-11(7-10)19(22)23)12(20)16-15-18-17-13(25-15)8(2)3/h5-8H,4H2,1-3H3,(H,16,18,20)