(6-propan-2-yl-1,3-benzodioxol-5-yl)methyl 2-thiocyanatopentanoate

Systemtic Name: (6-propan-2-yl-1,3-benzodioxol-5-yl)methyl 2-thiocyanatopentanoate Openeye Name: (6-isopropyl-1,3-benzodioxol-5-yl)methyl 2-thiocyanatopentanoate CAS Name: 2-thiocyanatopentanoic acid (6-propan-2-yl-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-propan-2-yl-1,3-benzodioxol-5-yl)methyl 2-thiocyanatopentanoate Traditional Name: 2-thiocyanatovaleric acid (6-isopropyl-1,3-benzodioxol-5-yl)methyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC1=CC2=C(C=C1C(C)C)OCO2)SC#N

Isomeric SMILES

CCCC(C(=O)OCC1=CC2=C(C=C1C(C)C)OCO2)SC#N

InChI

InChI=1S/C17H21NO4S/c1-4-5-16(23-9-18)17(19)20-8-12-6-14-15(22-10-21-14)7-13(12)11(2)3/h6-7,11,16H,4-5,8,10H2,1-3H3