diethyl 2-[[(3,4-dichlorophenyl)carbamothioylamino]methylidene]-3-oxidanylidene-butanedioate

Systemtic Name: diethyl 2-[[(3,4-dichlorophenyl)carbamothioylamino]methylidene]-3-oxidanylidene-butanedioate Openeye Name: diethyl 2-[[(3,4-dichlorophenyl)carbamothioylamino]methylene]-3-oxo-butanedioate CAS Name: 2-[[[(3,4-dichloroanilino)-sulfanylidenemethyl]amino]methylidene]-3-oxobutanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(3,4-dichlorophenyl)carbamothioylamino]methylidene]-3-oxobutanedioate Traditional Name: 2-[[(3,4-dichlorophenyl)thiocarbamoylamino]methylene]-3-keto-succinic acid diethyl ester Formula: C16H16Cl2N2O5S MolecularWeight: 419.27964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16Cl2N2O5S/c1-3-24-14(22)10(13(21)15(23)25-4-2)8-19-16(26)20-9-5-6-11(17)12(18)7-9/h5-8H,3-4H2,1-2H3,(H2,19,20,26)