[2-oxidanylidene-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-iodanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-iodanylbenzoate Openeye Name: [2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [2-keto-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] ester Formula: C14H14IN3O3S MolecularWeight: 431.24873

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)COC(=O)C2=CC=CC=C2I

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)COC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C14H14IN3O3S/c1-2-5-12-17-18-14(22-12)16-11(19)8-21-13(20)9-6-3-4-7-10(9)15/h3-4,6-7H,2,5,8H2,1H3,(H,16,18,19)