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

Systemtic Name: methyl 3-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(5-isobutyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(5-isobutyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C15H16N4O5S MolecularWeight: 364.37634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

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