propyl 2-isocyanatosulfonyl-3-methylsulfanyl-benzoate

Systemtic Name: propyl 2-isocyanatosulfonyl-3-methylsulfanyl-benzoate Openeye Name: propyl 2-isocyanatosulfonyl-3-methylsulfanyl-benzoate CAS Name: 2-isocyanatosulfonyl-3-(methylthio)benzoic acid propyl ester IUPAC Name: propyl 2-isocyanatosulfonyl-3-methylsulfanylbenzoate Traditional Name: 2-isocyanatosulfonyl-3-(methylthio)benzoic acid propyl ester Formula: C12H13NO5S2 MolecularWeight: 315.36532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5S2/c1-3-7-18-12(15)9-5-4-6-10(19-2)11(9)20(16,17)13-8-14/h4-6H,3,7H2,1-2H3