diethyl 2-[[[4-chloranyl-3-(4-ethanoylpiperazin-1-yl)phenyl]amino]-sulfanyl-methylidene]propanedioate

Systemtic Name: diethyl 2-[[[4-chloranyl-3-(4-ethanoylpiperazin-1-yl)phenyl]amino]-sulfanyl-methylidene]propanedioate Openeye Name: diethyl 2-[[3-(4-acetylpiperazin-1-yl)-4-chloro-anilino]-sulfanyl-methylene]propanedioate CAS Name: 2-[[3-(4-acetyl-1-piperazinyl)-4-chloroanilino]-mercaptomethylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3-(4-acetylpiperazin-1-yl)-4-chloroanilino]-sulfanylmethylidene]propanedioate Traditional Name: 2-[[3-(4-acetylpiperazino)-4-chloro-anilino]-mercapto-methylene]malonic acid diethyl ester Formula: C20H26ClN3O5S MolecularWeight: 455.95554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC(=C(C=C1)Cl)N2CCN(CC2)C(=O)C)S)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C(NC1=CC(=C(C=C1)Cl)N2CCN(CC2)C(=O)C)S)C(=O)OCC

InChI

InChI=1S/C20H26ClN3O5S/c1-4-28-19(26)17(20(27)29-5-2)18(30)22-14-6-7-15(21)16(12-14)24-10-8-23(9-11-24)13(3)25/h6-7,12,22,30H,4-5,8-11H2,1-3H3