diethyl 2-[[(4-chlorophenyl)amino]-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-methylidene]propanedioate

Systemtic Name: diethyl 2-[[(4-chlorophenyl)amino]-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-methylidene]propanedioate Openeye Name: diethyl 2-[(4-chloroanilino)-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanyl-methylene]propanedioate CAS Name: 2-[(4-chloroanilino)-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-chloroanilino)-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylmethylidene]propanedioate Traditional Name: 2-[(4-chloroanilino)-[(2-cumidino-2-keto-ethyl)thio]methylene]malonic acid diethyl ester Formula: C25H29ClN2O5S MolecularWeight: 505.02616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC=C(C=C1)Cl)SCC(=O)NC2=CC=C(C=C2)C(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C(NC1=CC=C(C=C1)Cl)SCC(=O)NC2=CC=C(C=C2)C(C)C)C(=O)OCC

InChI

InChI=1S/C25H29ClN2O5S/c1-5-32-24(30)22(25(31)33-6-2)23(28-20-13-9-18(26)10-14-20)34-15-21(29)27-19-11-7-17(8-12-19)16(3)4/h7-14,16,28H,5-6,15H2,1-4H3,(H,27,29)