(1-azanyl-1-oxidanylidene-propan-2-yl) 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C13H15NO3S2 MolecularWeight: 297.3931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC=C(C=C1)C2SCCS2

Isomeric SMILES

CC(C(=O)N)OC(=O)C1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C13H15NO3S2/c1-8(11(14)15)17-12(16)9-2-4-10(5-3-9)13-18-6-7-19-13/h2-5,8,13H,6-7H2,1H3,(H2,14,15)