2,3-bis(oxidanyl)butanedioic acid; 2-dimethylaminoethyl 3-(2-phenylsulfanylphenyl)propanoate

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 2-dimethylaminoethyl 3-(2-phenylsulfanylphenyl)propanoate Openeye Name: 2,3-dihydroxybutanedioic acid; 2-dimethylaminoethyl 3-(2-phenylsulfanylphenyl)propanoate CAS Name: 2,3-dihydroxybutanedioic acid; 3-[2-(phenylthio)phenyl]propanoic acid 2-dimethylaminoethyl ester IUPAC Name: 2,3-dihydroxybutanedioic acid; 2-dimethylaminoethyl 3-(2-phenylsulfanylphenyl)propanoate Traditional Name: 3-[2-(phenylthio)phenyl]propionic acid 2-dimethylaminoethyl ester; tartaric acid Formula: C23H29NO8S MolecularWeight: 479.54326

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)CCC1=CC=CC=C1SC2=CC=CC=C2.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CN(C)CCOC(=O)CCC1=CC=CC=C1SC2=CC=CC=C2.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C19H23NO2S.C4H6O6/c1-20(2)14-15-22-19(21)13-12-16-8-6-7-11-18(16)23-17-9-4-3-5-10-17;5-1(3(7)8)2(6)4(9)10/h3-11H,12-15H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)