methyl 5-chloranyl-4-isothiocyanato-2-prop-2-enoxy-benzoate

Systemtic Name: methyl 5-chloranyl-4-isothiocyanato-2-prop-2-enoxy-benzoate Openeye Name: methyl 2-allyloxy-5-chloro-4-isothiocyanato-benzoate CAS Name: 5-chloro-4-isothiocyanato-2-prop-2-enoxybenzoic acid methyl ester IUPAC Name: methyl 5-chloro-4-isothiocyanato-2-prop-2-enoxybenzoate Traditional Name: 2-allyloxy-5-chloro-4-isothiocyanato-benzoic acid methyl ester Formula: C12H10ClNO3S MolecularWeight: 283.7307

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1OCC=C)N=C=S)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1OCC=C)N=C=S)Cl

InChI

InChI=1S/C12H10ClNO3S/c1-3-4-17-11-6-10(14-7-18)9(13)5-8(11)12(15)16-2/h3,5-6H,1,4H2,2H3