propan-2-yl 2-isocyanatosulfonyl-3-methylsulfanyl-benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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