butyl 4-(5-oxidanylidene-4H-1,3,4-thiadiazin-2-yl)benzoate

Systemtic Name: butyl 4-(5-oxidanylidene-4H-1,3,4-thiadiazin-2-yl)benzoate Openeye Name: butyl 4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)benzoate CAS Name: 4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)benzoic acid butyl ester IUPAC Name: butyl 4-(5-oxo-4H-1,3,4-thiadiazin-2-yl)benzoate Traditional Name: 4-(5-keto-4H-1,3,4-thiadiazin-2-yl)benzoic acid butyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)C2=NNC(=O)CS2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)C2=NNC(=O)CS2

InChI

InChI=1S/C14H16N2O3S/c1-2-3-8-19-14(18)11-6-4-10(5-7-11)13-16-15-12(17)9-20-13/h4-7H,2-3,8-9H2,1H3,(H,15,17)