5-(4-azanylbutan-2-ylsulfanylmethyl)-2-(dimethylaminomethyl)furan-3-carboxylic acid

Systemtic Name: 5-(4-azanylbutan-2-ylsulfanylmethyl)-2-(dimethylaminomethyl)furan-3-carboxylic acid Openeye Name: 5-[(3-amino-1-methyl-propyl)sulfanylmethyl]-2-(dimethylaminomethyl)furan-3-carboxylic acid CAS Name: 5-[(4-aminobutan-2-ylthio)methyl]-2-(dimethylaminomethyl)-3-furancarboxylic acid IUPAC Name: 5-(4-aminobutan-2-ylsulfanylmethyl)-2-(dimethylaminomethyl)furan-3-carboxylic acid Traditional Name: 5-[[(3-amino-1-methyl-propyl)thio]methyl]-2-(dimethylaminomethyl)-3-furoic acid Formula: C13H22N2O3S MolecularWeight: 286.39038

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN)SCC1=CC(=C(O1)CN(C)C)C(=O)O

Isomeric SMILES

CC(CCN)SCC1=CC(=C(O1)CN(C)C)C(=O)O

InChI

InChI=1S/C13H22N2O3S/c1-9(4-5-14)19-8-10-6-11(13(16)17)12(18-10)7-15(2)3/h6,9H,4-5,7-8,14H2,1-3H3,(H,16,17)