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

Systemtic Name: methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate Traditional Name: 3-[(5-amyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H18N4O5S/c1-3-4-5-6-13-18-19-16(26-13)17-14(21)10-7-11(15(22)25-2)9-12(8-10)20(23)24/h7-9H,3-6H2,1-2H3,(H,17,19,21)