diethyl 2-[[(4-chlorophenyl)-(morpholin-4-ylsulfanylcarbonylamino)methylidene]amino]propanedioate

Systemtic Name: diethyl 2-[[(4-chlorophenyl)-(morpholin-4-ylsulfanylcarbonylamino)methylidene]amino]propanedioate Openeye Name: diethyl 2-[[(4-chlorophenyl)-(morpholinosulfanylcarbonylamino)methylene]amino]propanedioate CAS Name: 2-[[(4-chlorophenyl)-[[(4-morpholinylthio)-oxomethyl]amino]methylidene]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(4-chlorophenyl)-(morpholin-4-ylsulfanylcarbonylamino)methylidene]amino]propanedioate Traditional Name: 2-[[(4-chlorophenyl)-[(morpholinothio)carbonylamino]methylene]amino]malonic acid diethyl ester Formula: C19H24ClN3O6S MolecularWeight: 457.92836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)N=C(C1=CC=C(C=C1)Cl)NC(=O)SN2CCOCC2

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N=C(C1=CC=C(C=C1)Cl)NC(=O)SN2CCOCC2

InChI

InChI=1S/C19H24ClN3O6S/c1-3-28-17(24)15(18(25)29-4-2)21-16(13-5-7-14(20)8-6-13)22-19(26)30-23-9-11-27-12-10-23/h5-8,15H,3-4,9-12H2,1-2H3,(H,21,22,26)