methyl 2-[(5-methyl-7-thiocyanato-2,3-dihydro-1-benzofuran-4-yl)oxy]ethanoate

Systemtic Name: methyl 2-[(5-methyl-7-thiocyanato-2,3-dihydro-1-benzofuran-4-yl)oxy]ethanoate Openeye Name: methyl 2-[(5-methyl-7-thiocyanato-2,3-dihydrobenzofuran-4-yl)oxy]acetate CAS Name: 2-[(5-methyl-7-thiocyanato-2,3-dihydrobenzofuran-4-yl)oxy]acetic acid methyl ester IUPAC Name: methyl 2-[(5-methyl-7-thiocyanato-2,3-dihydro-1-benzofuran-4-yl)oxy]acetate Traditional Name: 2-(5-methyl-7-thiocyanato-coumaran-4-yl)oxyacetic acid methyl ester Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1OCC(=O)OC)CCO2)SC#N

Isomeric SMILES

CC1=CC(=C2C(=C1OCC(=O)OC)CCO2)SC#N

InChI

InChI=1S/C13H13NO4S/c1-8-5-10(19-7-14)13-9(3-4-17-13)12(8)18-6-11(15)16-2/h5H,3-4,6H2,1-2H3