ethyl 3,5-diisothiocyanatobenzoate

Systemtic Name: ethyl 3,5-diisothiocyanatobenzoate Openeye Name: ethyl 3,5-diisothiocyanatobenzoate CAS Name: 3,5-diisothiocyanatobenzoic acid ethyl ester IUPAC Name: ethyl 3,5-diisothiocyanatobenzoate Traditional Name: 3,5-diisothiocyanatobenzoic acid ethyl ester Formula: C11H8N2O2S2 MolecularWeight: 264.32342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)N=C=S)N=C=S

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)N=C=S)N=C=S

InChI

InChI=1S/C11H8N2O2S2/c1-2-15-11(14)8-3-9(12-6-16)5-10(4-8)13-7-17/h3-5H,2H2,1H3