(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(1,3-dithian-2-yl)benzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C17H20N2O3S2 MolecularWeight: 364.4823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)COC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CC(C)C1=NOC(=N1)COC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C17H20N2O3S2/c1-11(2)15-18-14(22-19-15)10-21-16(20)12-4-6-13(7-5-12)17-23-8-3-9-24-17/h4-7,11,17H,3,8-10H2,1-2H3