diethyl 2-(3-phenylprop-2-enoylcarbamothioylamino)propanedioate

Systemtic Name: diethyl 2-(3-phenylprop-2-enoylcarbamothioylamino)propanedioate Openeye Name: diethyl 2-(3-phenylprop-2-enoylcarbamothioylamino)propanedioate CAS Name: 2-[[[(1-oxo-3-phenylprop-2-enyl)amino]-sulfanylidenemethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3-phenylprop-2-enoylcarbamothioylamino)propanedioate Traditional Name: 2-(cinnamoylthiocarbamoylamino)malonic acid diethyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=S)NC(=O)C=CC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=S)NC(=O)C=CC1=CC=CC=C1

InChI

InChI=1S/C17H20N2O5S/c1-3-23-15(21)14(16(22)24-4-2)19-17(25)18-13(20)11-10-12-8-6-5-7-9-12/h5-11,14H,3-4H2,1-2H3,(H2,18,19,20,25)