diethyl 2-[(3-chlorophenyl)methylsulfanyl-(methylamino)methylidene]propanedioate

Systemtic Name: diethyl 2-[(3-chlorophenyl)methylsulfanyl-(methylamino)methylidene]propanedioate Openeye Name: diethyl 2-[(3-chlorophenyl)methylsulfanyl-(methylamino)methylene]propanedioate CAS Name: 2-[[(3-chlorophenyl)methylthio]-(methylamino)methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(3-chlorophenyl)methylsulfanyl-(methylamino)methylidene]propanedioate Traditional Name: 2-[[(3-chlorobenzyl)thio]-(methylamino)methylene]malonic acid diethyl ester Formula: C16H20ClNO4S MolecularWeight: 357.8523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC)SCC1=CC(=CC=C1)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C(NC)SCC1=CC(=CC=C1)Cl)C(=O)OCC

InChI

InChI=1S/C16H20ClNO4S/c1-4-21-15(19)13(16(20)22-5-2)14(18-3)23-10-11-7-6-8-12(17)9-11/h6-9,18H,4-5,10H2,1-3H3