diethyl 2-[[(3-chloranyl-2-propan-2-ylsulfanyl-phenyl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(3-chloranyl-2-propan-2-ylsulfanyl-phenyl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[(3-chloro-2-isopropylsulfanyl-anilino)methylene]propanedioate CAS Name: 2-[[3-chloro-2-(propan-2-ylthio)anilino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(3-chloro-2-propan-2-ylsulfanylanilino)methylidene]propanedioate Traditional Name: 2-[[3-chloro-2-(isopropylthio)anilino]methylene]malonic acid diethyl ester Formula: C17H22ClNO4S MolecularWeight: 371.87888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=C(C(=CC=C1)Cl)SC(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=C(C(=CC=C1)Cl)SC(C)C)C(=O)OCC

InChI

InChI=1S/C17H22ClNO4S/c1-5-22-16(20)12(17(21)23-6-2)10-19-14-9-7-8-13(18)15(14)24-11(3)4/h7-11,19H,5-6H2,1-4H3