methyl 2-(2-chloranyl-5-isothiocyanato-phenyl)sulfanylethanoate

Systemtic Name: methyl 2-(2-chloranyl-5-isothiocyanato-phenyl)sulfanylethanoate Openeye Name: methyl 2-(2-chloro-5-isothiocyanato-phenyl)sulfanylacetate CAS Name: 2-[(2-chloro-5-isothiocyanatophenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-chloro-5-isothiocyanatophenyl)sulfanylacetate Traditional Name: 2-[(2-chloro-5-isothiocyanato-phenyl)thio]acetic acid methyl ester Formula: C10H8ClNO2S2 MolecularWeight: 273.75902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=CC(=C1)N=C=S)Cl

Isomeric SMILES

COC(=O)CSC1=C(C=CC(=C1)N=C=S)Cl

InChI

InChI=1S/C10H8ClNO2S2/c1-14-10(13)5-16-9-4-7(12-6-15)2-3-8(9)11/h2-4H,5H2,1H3