diethyl 2-[[(2-chlorophenyl)carbamothioylamino]methylidene]-3-oxidanylidene-butanedioate

Systemtic Name: diethyl 2-[[(2-chlorophenyl)carbamothioylamino]methylidene]-3-oxidanylidene-butanedioate Openeye Name: diethyl 2-[[(2-chlorophenyl)carbamothioylamino]methylene]-3-oxo-butanedioate CAS Name: 2-[[[(2-chloroanilino)-sulfanylidenemethyl]amino]methylidene]-3-oxobutanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(2-chlorophenyl)carbamothioylamino]methylidene]-3-oxobutanedioate Traditional Name: 2-[[(2-chlorophenyl)thiocarbamoylamino]methylene]-3-keto-succinic acid diethyl ester Formula: C16H17ClN2O5S MolecularWeight: 384.83458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC(=S)NC1=CC=CC=C1Cl)C(=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC(=S)NC1=CC=CC=C1Cl)C(=O)C(=O)OCC

InChI

InChI=1S/C16H17ClN2O5S/c1-3-23-14(21)10(13(20)15(22)24-4-2)9-18-16(25)19-12-8-6-5-7-11(12)17/h5-9H,3-4H2,1-2H3,(H2,18,19,25)