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

Systemtic Name: propan-2-yl 4-(5-oxidanylidene-4H-1,3,4-thiadiazin-2-yl)benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c1-8(2)18-13(17)10-5-3-9(4-6-10)12-15-14-11(16)7-19-12/h3-6,8H,7H2,1-2H3,(H,14,16)