methyl 2-(2-butyl-4-thiocyanato-phenoxy)ethanoate

Systemtic Name: methyl 2-(2-butyl-4-thiocyanato-phenoxy)ethanoate Openeye Name: methyl 2-(2-butyl-4-thiocyanato-phenoxy)acetate CAS Name: 2-(2-butyl-4-thiocyanatophenoxy)acetic acid methyl ester IUPAC Name: methyl 2-(2-butyl-4-thiocyanatophenoxy)acetate Traditional Name: 2-(2-butyl-4-thiocyanato-phenoxy)acetic acid methyl ester Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)SC#N)OCC(=O)OC

Isomeric SMILES

CCCCC1=C(C=CC(=C1)SC#N)OCC(=O)OC

InChI

InChI=1S/C14H17NO3S/c1-3-4-5-11-8-12(19-10-15)6-7-13(11)18-9-14(16)17-2/h6-8H,3-5,9H2,1-2H3