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

Systemtic Name: methyl 2-(5-chloranyl-4-isothiocyanato-2-methyl-phenoxy)ethanoate Openeye Name: methyl 2-(5-chloro-4-isothiocyanato-2-methyl-phenoxy)acetate CAS Name: 2-(5-chloro-4-isothiocyanato-2-methylphenoxy)acetic acid methyl ester IUPAC Name: methyl 2-(5-chloro-4-isothiocyanato-2-methylphenoxy)acetate Traditional Name: 2-(5-chloro-4-isothiocyanato-2-methyl-phenoxy)acetic acid methyl ester Formula: C11H10ClNO3S MolecularWeight: 271.72

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10ClNO3S/c1-7-3-9(13-6-17)8(12)4-10(7)16-5-11(14)15-2/h3-4H,5H2,1-2H3