methyl 2-[(8-thiocyanato-3,4-dihydro-2H-chromen-5-yl)oxy]ethanoate

Systemtic Name: methyl 2-[(8-thiocyanato-3,4-dihydro-2H-chromen-5-yl)oxy]ethanoate Openeye Name: methyl 2-(8-thiocyanatochroman-5-yl)oxyacetate CAS Name: 2-[(8-thiocyanato-3,4-dihydro-2H-1-benzopyran-5-yl)oxy]acetic acid methyl ester IUPAC Name: methyl 2-[(8-thiocyanato-3,4-dihydro-2H-chromen-5-yl)oxy]acetate Traditional Name: 2-(8-thiocyanatochroman-5-yl)oxyacetic acid methyl ester Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C2CCCOC2=C(C=C1)SC#N

Isomeric SMILES

COC(=O)COC1=C2CCCOC2=C(C=C1)SC#N

InChI

InChI=1S/C13H13NO4S/c1-16-12(15)7-18-10-4-5-11(19-8-14)13-9(10)3-2-6-17-13/h4-5H,2-3,6-7H2,1H3