propyl 3-ethyl-2-isocyanatosulfonyl-benzoate

Systemtic Name: propyl 3-ethyl-2-isocyanatosulfonyl-benzoate Openeye Name: propyl 3-ethyl-2-isocyanatosulfonyl-benzoate CAS Name: 3-ethyl-2-isocyanatosulfonylbenzoic acid propyl ester IUPAC Name: propyl 3-ethyl-2-isocyanatosulfonylbenzoate Traditional Name: 3-ethyl-2-isocyanatosulfonyl-benzoic acid propyl ester Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5S/c1-3-8-19-13(16)11-7-5-6-10(4-2)12(11)20(17,18)14-9-15/h5-7H,3-4,8H2,1-2H3