diethyl 2-oxidanylidene-3-[(prop-2-enylcarbamothioylamino)methylidene]butanedioate

Systemtic Name: diethyl 2-oxidanylidene-3-[(prop-2-enylcarbamothioylamino)methylidene]butanedioate Openeye Name: diethyl 2-[(allylcarbamothioylamino)methylene]-3-oxo-butanedioate CAS Name: 2-oxo-3-[[[(prop-2-enylamino)-sulfanylidenemethyl]amino]methylidene]butanedioic acid diethyl ester IUPAC Name: diethyl 2-oxo-3-[(prop-2-enylcarbamothioylamino)methylidene]butanedioate Traditional Name: 2-[(allylthiocarbamoylamino)methylene]-3-keto-succinic acid diethyl ester Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC(=S)NCC=C)C(=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC(=S)NCC=C)C(=O)C(=O)OCC

InChI

InChI=1S/C13H18N2O5S/c1-4-7-14-13(21)15-8-9(11(17)19-5-2)10(16)12(18)20-6-3/h4,8H,1,5-7H2,2-3H3,(H2,14,15,21)