(1-isocyanato-1-oxidanylidene-propan-2-yl) thiophene-2-carboxylate

Systemtic Name: (1-isocyanato-1-oxidanylidene-propan-2-yl) thiophene-2-carboxylate Openeye Name: (2-isocyanato-1-methyl-2-oxo-ethyl) thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid (1-isocyanato-1-oxopropan-2-yl) ester IUPAC Name: (1-isocyanato-1-oxopropan-2-yl) thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (2-isocyanato-2-keto-1-methyl-ethyl) ester Formula: C9H7NO4S MolecularWeight: 225.22118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N=C=O)OC(=O)C1=CC=CS1

Isomeric SMILES

CC(C(=O)N=C=O)OC(=O)C1=CC=CS1

InChI

InChI=1S/C9H7NO4S/c1-6(8(12)10-5-11)14-9(13)7-3-2-4-15-7/h2-4,6H,1H3