2-(3,4-dimethoxyphenyl)-1-isothiocyanato-ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-isothiocyanato-ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)acetyl isothiocyanate CAS Name: 2-(3,4-dimethoxyphenyl)-1-isothiocyanatoethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)acetyl isothiocyanate Traditional Name: 2-(3,4-dimethoxyphenyl)-1-isothiocyanato-ethanone Formula: C11H11NO3S MolecularWeight: 237.27494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N=C=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N=C=S)OC

InChI

InChI=1S/C11H11NO3S/c1-14-9-4-3-8(5-10(9)15-2)6-11(13)12-7-16/h3-5H,6H2,1-2H3