dimethyl 2-[[10,10-bis(oxidanylidene)-9H-thioxanthen-9-yl]imino]pentanedioate

Systemtic Name: dimethyl 2-[[10,10-bis(oxidanylidene)-9H-thioxanthen-9-yl]imino]pentanedioate Openeye Name: dimethyl 2-[(10,10-dioxo-9H-thioxanthen-9-yl)imino]pentanedioate CAS Name: 2-[(10,10-dioxo-9H-thioxanthen-9-yl)imino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(10,10-dioxo-9H-thioxanthen-9-yl)imino]pentanedioate Traditional Name: 2-[(10,10-diketo-9H-thioxanthen-9-yl)imino]glutaric acid dimethyl ester Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=NC1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C13)C(=O)OC

Isomeric SMILES

COC(=O)CCC(=NC1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C13)C(=O)OC

InChI

InChI=1S/C20H19NO6S/c1-26-18(22)12-11-15(20(23)27-2)21-19-13-7-3-5-9-16(13)28(24,25)17-10-6-4-8-14(17)19/h3-10,19H,11-12H2,1-2H3