dimethyl 3-isocyanato-1-benzothiophene-2,5-dicarboxylate

Systemtic Name: dimethyl 3-isocyanato-1-benzothiophene-2,5-dicarboxylate Openeye Name: dimethyl 3-isocyanatobenzothiophene-2,5-dicarboxylate CAS Name: 3-isocyanato-1-benzothiophene-2,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-isocyanato-1-benzothiophene-2,5-dicarboxylate Traditional Name: 3-isocyanatobenzothiophene-2,5-dicarboxylic acid dimethyl ester Formula: C13H9NO5S MolecularWeight: 291.27926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)SC(=C2N=C=O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)SC(=C2N=C=O)C(=O)OC

InChI

InChI=1S/C13H9NO5S/c1-18-12(16)7-3-4-9-8(5-7)10(14-6-15)11(20-9)13(17)19-2/h3-5H,1-2H3