diethyl 2-[(2-ethoxyphenyl)carbamothioylamino]propanedioate

Systemtic Name: diethyl 2-[(2-ethoxyphenyl)carbamothioylamino]propanedioate Openeye Name: diethyl 2-[(2-ethoxyphenyl)carbamothioylamino]propanedioate CAS Name: 2-[[(2-ethoxyanilino)-sulfanylidenemethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2-ethoxyphenyl)carbamothioylamino]propanedioate Traditional Name: 2-(o-phenetylthiocarbamoylamino)malonic acid diethyl ester Formula: C16H22N2O5S MolecularWeight: 354.42128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)NC(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)NC(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C16H22N2O5S/c1-4-21-12-10-8-7-9-11(12)17-16(24)18-13(14(19)22-5-2)15(20)23-6-3/h7-10,13H,4-6H2,1-3H3,(H2,17,18,24)