ethyl 4-[[3-(2-oxidanylidenepropyl)-1,2,4-thiadiazol-5-yl]amino]benzoate

Systemtic Name: ethyl 4-[[3-(2-oxidanylidenepropyl)-1,2,4-thiadiazol-5-yl]amino]benzoate Openeye Name: ethyl 4-[(3-acetonyl-1,2,4-thiadiazol-5-yl)amino]benzoate CAS Name: 4-[[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]amino]benzoate Traditional Name: 4-[(3-acetonyl-1,2,4-thiadiazol-5-yl)amino]benzoic acid ethyl ester Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NS2)CC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NS2)CC(=O)C

InChI

InChI=1S/C14H15N3O3S/c1-3-20-13(19)10-4-6-11(7-5-10)15-14-16-12(17-21-14)8-9(2)18/h4-7H,3,8H2,1-2H3,(H,15,16,17)