[6-[4-(isothiocyanatomethyl)phenoxy]-2-methyl-4,5-bis(oxidanyl)oxan-3-yl] ethanoate

Systemtic Name: [6-[4-(isothiocyanatomethyl)phenoxy]-2-methyl-4,5-bis(oxidanyl)oxan-3-yl] ethanoate Openeye Name: [4,5-dihydroxy-6-[4-(isothiocyanatomethyl)phenoxy]-2-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4,5-dihydroxy-6-[4-(isothiocyanatomethyl)phenoxy]-2-methyl-3-oxanyl] ester IUPAC Name: [4,5-dihydroxy-6-[4-(isothiocyanatomethyl)phenoxy]-2-methyloxan-3-yl] acetate Traditional Name: acetic acid [4,5-dihydroxy-6-[4-(isothiocyanatomethyl)phenoxy]-2-methyl-tetrahydropyran-3-yl] ester Formula: C16H19NO6S MolecularWeight: 353.39016

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2=CC=C(C=C2)CN=C=S)O)O)OC(=O)C

Isomeric SMILES

CC1C(C(C(C(O1)OC2=CC=C(C=C2)CN=C=S)O)O)OC(=O)C

InChI

InChI=1S/C16H19NO6S/c1-9-15(22-10(2)18)13(19)14(20)16(21-9)23-12-5-3-11(4-6-12)7-17-8-24/h3-6,9,13-16,19-20H,7H2,1-2H3