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

Systemtic Name: ethyl 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C15H14N4O5S MolecularWeight: 362.36046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O5S/c1-2-24-14(21)10-5-9(6-11(7-10)19(22)23)12(20)16-15-18-17-13(25-15)8-3-4-8/h5-8H,2-4H2,1H3,(H,16,18,20)