methyl 4-chloranyl-5-isothiocyanato-2-methoxy-benzoate

Systemtic Name: methyl 4-chloranyl-5-isothiocyanato-2-methoxy-benzoate Openeye Name: methyl 4-chloro-5-isothiocyanato-2-methoxy-benzoate CAS Name: 4-chloro-5-isothiocyanato-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-chloro-5-isothiocyanato-2-methoxybenzoate Traditional Name: 4-chloro-5-isothiocyanato-2-methoxy-benzoic acid methyl ester Formula: C10H8ClNO3S MolecularWeight: 257.69342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OC)N=C=S)Cl

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OC)N=C=S)Cl

InChI

InChI=1S/C10H8ClNO3S/c1-14-9-4-7(11)8(12-5-16)3-6(9)10(13)15-2/h3-4H,1-2H3