2,3-bis(oxidanyl)butanedioic acid; 2-[2-(ethylaminomethyl)phenyl]sulfanyl-5-methyl-aniline

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 2-[2-(ethylaminomethyl)phenyl]sulfanyl-5-methyl-aniline Openeye Name: 2,3-dihydroxybutanedioic acid; 2-[2-(ethylaminomethyl)phenyl]sulfanyl-5-methyl-aniline CAS Name: 2,3-dihydroxybutanedioic acid; 2-[[2-(ethylaminomethyl)phenyl]thio]-5-methylaniline IUPAC Name: 2,3-dihydroxybutanedioic acid; 2-[2-(ethylaminomethyl)phenyl]sulfanyl-5-methylaniline Traditional Name: [2-[(2-amino-4-methyl-phenyl)thio]benzyl]-ethyl-amine; tartaric acid Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CC=CC=C1SC2=C(C=C(C=C2)C)N.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CCNCC1=CC=CC=C1SC2=C(C=C(C=C2)C)N.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C16H20N2S.C4H6O6/c1-3-18-11-13-6-4-5-7-15(13)19-16-9-8-12(2)10-14(16)17;5-1(3(7)8)2(6)4(9)10/h4-10,18H,3,11,17H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)