ethanedioic acid; ethyl 3-[2-(dimethylaminomethyl)phenyl]sulfanylbenzoate

Systemtic Name: ethanedioic acid; ethyl 3-[2-(dimethylaminomethyl)phenyl]sulfanylbenzoate Openeye Name: ethyl 3-[2-(dimethylaminomethyl)phenyl]sulfanylbenzoate; oxalic acid CAS Name: 3-[[2-(dimethylaminomethyl)phenyl]thio]benzoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 3-[2-(dimethylaminomethyl)phenyl]sulfanylbenzoate; oxalic acid Traditional Name: 3-[[2-(dimethylaminomethyl)phenyl]thio]benzoic acid ethyl ester; oxalic acid Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)SC2=CC=CC=C2CN(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)SC2=CC=CC=C2CN(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21NO2S.C2H2O4/c1-4-21-18(20)14-9-7-10-16(12-14)22-17-11-6-5-8-15(17)13-19(2)3;3-1(4)2(5)6/h5-12H,4,13H2,1-3H3;(H,3,4)(H,5,6)