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

Systemtic Name: ethyl 3-nitro-5-[[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate Openeye Name: ethyl 3-[[5-(4-isopropylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate Traditional Name: 3-nitro-5-[(5-p-cumenyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid ethyl ester Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5S/c1-4-30-20(27)16-9-15(10-17(11-16)25(28)29)18(26)22-21-24-23-19(31-21)14-7-5-13(6-8-14)12(2)3/h5-12H,4H2,1-3H3,(H,22,24,26)