diethyl 2-(phenylcarbamothioyl)propanedioate

Systemtic Name: diethyl 2-(phenylcarbamothioyl)propanedioate Openeye Name: diethyl 2-(phenylcarbamothioyl)propanedioate CAS Name: 2-[anilino(sulfanylidene)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(phenylcarbamothioyl)propanedioate Traditional Name: 2-(phenylthiocarbamoyl)malonic acid diethyl ester Formula: C14H17NO4S MolecularWeight: 295.35408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=S)NC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(=S)NC1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C14H17NO4S/c1-3-18-13(16)11(14(17)19-4-2)12(20)15-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,15,20)