(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H16FNO5S MolecularWeight: 377.386743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3SCC(=O)N)F

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3SCC(=O)N)F

InChI

InChI=1S/C18H16FNO5S/c19-13-5-11-7-23-10-25-17(11)12(6-13)8-24-18(22)14-3-1-2-4-15(14)26-9-16(20)21/h1-6H,7-10H2,(H2,20,21)