5-(2-azanylethylsulfanylmethyl)-2-(dimethylaminomethyl)furan-3-carboxylic acid

Systemtic Name: 5-(2-azanylethylsulfanylmethyl)-2-(dimethylaminomethyl)furan-3-carboxylic acid Openeye Name: 5-(2-aminoethylsulfanylmethyl)-2-(dimethylaminomethyl)furan-3-carboxylic acid CAS Name: 5-[(2-aminoethylthio)methyl]-2-(dimethylaminomethyl)-3-furancarboxylic acid IUPAC Name: 5-(2-aminoethylsulfanylmethyl)-2-(dimethylaminomethyl)furan-3-carboxylic acid Traditional Name: 5-[(2-aminoethylthio)methyl]-2-(dimethylaminomethyl)-3-furoic acid Formula: C11H18N2O3S MolecularWeight: 258.33722

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=C(O1)CSCCN)C(=O)O

Isomeric SMILES

CN(C)CC1=C(C=C(O1)CSCCN)C(=O)O

InChI

InChI=1S/C11H18N2O3S/c1-13(2)6-10-9(11(14)15)5-8(16-10)7-17-4-3-12/h5H,3-4,6-7,12H2,1-2H3,(H,14,15)