ethyl 2-isocyanatosulfonyl-3-methylsulfanyl-benzoate

Systemtic Name: ethyl 2-isocyanatosulfonyl-3-methylsulfanyl-benzoate Openeye Name: ethyl 2-isocyanatosulfonyl-3-methylsulfanyl-benzoate CAS Name: 2-isocyanatosulfonyl-3-(methylthio)benzoic acid ethyl ester IUPAC Name: ethyl 2-isocyanatosulfonyl-3-methylsulfanylbenzoate Traditional Name: 2-isocyanatosulfonyl-3-(methylthio)benzoic acid ethyl ester Formula: C11H11NO5S2 MolecularWeight: 301.33874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO5S2/c1-3-17-11(14)8-5-4-6-9(18-2)10(8)19(15,16)12-7-13/h4-6H,3H2,1-2H3