dimethyl 5-isothiocyanatobenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-isothiocyanatobenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-isothiocyanatobenzene-1,3-dicarboxylate CAS Name: 5-isothiocyanatobenzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-isothiocyanatobenzene-1,3-dicarboxylate Traditional Name: 5-isothiocyanatobenzene-1,3-dicarboxylic acid dimethyl ester Formula: C11H9NO4S MolecularWeight: 251.25846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9NO4S/c1-15-10(13)7-3-8(11(14)16-2)5-9(4-7)12-6-17/h3-5H,1-2H3