methyl 5-isothiocyanato-2,4-dimethoxy-benzoate

Systemtic Name: methyl 5-isothiocyanato-2,4-dimethoxy-benzoate Openeye Name: methyl 5-isothiocyanato-2,4-dimethoxy-benzoate CAS Name: 5-isothiocyanato-2,4-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 5-isothiocyanato-2,4-dimethoxybenzoate Traditional Name: 5-isothiocyanato-2,4-dimethoxy-benzoic acid methyl ester Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO4S/c1-14-9-5-10(15-2)8(12-6-17)4-7(9)11(13)16-3/h4-5H,1-3H3