4-isothiocyanato-N-[(3R)-2-oxidanylideneoxolan-3-yl]benzamide

Systemtic Name: 4-isothiocyanato-N-[(3R)-2-oxidanylideneoxolan-3-yl]benzamide Openeye Name: 4-isothiocyanato-N-[(3R)-2-oxotetrahydrofuran-3-yl]benzamide CAS Name: 4-isothiocyanato-N-[(3R)-2-oxo-3-oxolanyl]benzamide IUPAC Name: 4-isothiocyanato-N-[(3R)-2-oxooxolan-3-yl]benzamide Traditional Name: 4-isothiocyanato-N-[(3R)-2-ketotetrahydrofuran-3-yl]benzamide Formula: C12H10N2O3S MolecularWeight: 262.2844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1NC(=O)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

C1COC(=O)[C@@H]1NC(=O)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C12H10N2O3S/c15-11(14-10-5-6-17-12(10)16)8-1-3-9(4-2-8)13-7-18/h1-4,10H,5-6H2,(H,14,15)/t10-/m1/s1