diethyl 2-[(2-ethoxycarbonyl-5-nitro-phenyl)amino]-2-propylsulfanyl-propanedioate

Systemtic Name: diethyl 2-[(2-ethoxycarbonyl-5-nitro-phenyl)amino]-2-propylsulfanyl-propanedioate Openeye Name: diethyl 2-(2-ethoxycarbonyl-5-nitro-anilino)-2-propylsulfanyl-propanedioate CAS Name: 2-(2-ethoxycarbonyl-5-nitroanilino)-2-(propylthio)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-ethoxycarbonyl-5-nitroanilino)-2-propylsulfanylpropanedioate Traditional Name: 2-(2-carbethoxy-5-nitro-anilino)-2-(propylthio)malonic acid diethyl ester Formula: C19H26N2O8S MolecularWeight: 442.48334

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(C(=O)OCC)(C(=O)OCC)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCSC(C(=O)OCC)(C(=O)OCC)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C19H26N2O8S/c1-5-11-30-19(17(23)28-7-3,18(24)29-8-4)20-15-12-13(21(25)26)9-10-14(15)16(22)27-6-2/h9-10,12,20H,5-8,11H2,1-4H3