methyl 2-(3-chloranyl-4-isothiocyanato-phenyl)ethanoate

Systemtic Name: methyl 2-(3-chloranyl-4-isothiocyanato-phenyl)ethanoate Openeye Name: methyl 2-(3-chloro-4-isothiocyanato-phenyl)acetate CAS Name: 2-(3-chloro-4-isothiocyanatophenyl)acetic acid methyl ester IUPAC Name: methyl 2-(3-chloro-4-isothiocyanatophenyl)acetate Traditional Name: 2-(3-chloro-4-isothiocyanato-phenyl)acetic acid methyl ester Formula: C10H8ClNO2S MolecularWeight: 241.69402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=C(C=C1)N=C=S)Cl

Isomeric SMILES

COC(=O)CC1=CC(=C(C=C1)N=C=S)Cl

InChI

InChI=1S/C10H8ClNO2S/c1-14-10(13)5-7-2-3-9(12-6-15)8(11)4-7/h2-4H,5H2,1H3