2-methyl-5-[[methyl(thiolan-3-yl)amino]methyl]furan-3-carboxylic acid

Systemtic Name: 2-methyl-5-[[methyl(thiolan-3-yl)amino]methyl]furan-3-carboxylic acid Openeye Name: 2-methyl-5-[[methyl(tetrahydrothiophen-3-yl)amino]methyl]furan-3-carboxylic acid CAS Name: 2-methyl-5-[[methyl(3-thiolanyl)amino]methyl]-3-furancarboxylic acid IUPAC Name: 2-methyl-5-[[methyl(thiolan-3-yl)amino]methyl]furan-3-carboxylic acid Traditional Name: 2-methyl-5-[[methyl(tetrahydrothiophen-3-yl)amino]methyl]-3-furoic acid Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CN(C)C2CCSC2)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CN(C)C2CCSC2)C(=O)O

InChI

InChI=1S/C12H17NO3S/c1-8-11(12(14)15)5-10(16-8)6-13(2)9-3-4-17-7-9/h5,9H,3-4,6-7H2,1-2H3,(H,14,15)