methyl 2-(4-isothiocyanato-5-methoxy-2-methyl-phenoxy)ethanoate

Systemtic Name: methyl 2-(4-isothiocyanato-5-methoxy-2-methyl-phenoxy)ethanoate Openeye Name: methyl 2-(4-isothiocyanato-5-methoxy-2-methyl-phenoxy)acetate CAS Name: 2-(4-isothiocyanato-5-methoxy-2-methylphenoxy)acetic acid methyl ester IUPAC Name: methyl 2-(4-isothiocyanato-5-methoxy-2-methylphenoxy)acetate Traditional Name: 2-(4-isothiocyanato-5-methoxy-2-methyl-phenoxy)acetic acid methyl ester Formula: C12H13NO4S MolecularWeight: 267.30092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)OC)OC)N=C=S

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)OC)OC)N=C=S

InChI

InChI=1S/C12H13NO4S/c1-8-4-9(13-7-18)11(15-2)5-10(8)17-6-12(14)16-3/h4-5H,6H2,1-3H3