dimethyl 2-isothiocyanatobenzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-isothiocyanatobenzene-1,4-dicarboxylate Openeye Name: dimethyl 2-isothiocyanatobenzene-1,4-dicarboxylate CAS Name: 2-isothiocyanatobenzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-isothiocyanatobenzene-1,4-dicarboxylate Traditional Name: 2-isothiocyanatobenzene-1,4-dicarboxylic acid dimethyl ester Formula: C11H9NO4S MolecularWeight: 251.25846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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