diethyl 2-[(phenylcarbamothioylamino)methylidene]propanedioate

Systemtic Name: diethyl 2-[(phenylcarbamothioylamino)methylidene]propanedioate Openeye Name: diethyl 2-[(phenylcarbamothioylamino)methylene]propanedioate CAS Name: 2-[[[anilino(sulfanylidene)methyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(phenylcarbamothioylamino)methylidene]propanedioate Traditional Name: 2-[(phenylthiocarbamoylamino)methylene]malonic acid diethyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4S/c1-3-20-13(18)12(14(19)21-4-2)10-16-15(22)17-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H2,16,17,22)